UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13781709
13781709

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Popular Name: (5Z)-5-[(2,5-difluorophenyl)methylene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (5Z)-5-[(2,5-difluorophenyl)meth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 887 0.28 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 371 0.30 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 2 0.41 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 887 0.28 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 173 0.32 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.5 0.41 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1600 0.27 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 173 0.32 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1.5 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 14.7 0.37 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.72 2.77 -8.64 1 2 0 25 401.456 1 ↓

Analogs

12404509
12404509

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Popular Name: (5Z)-5-[(3,4-difluorophenyl)methylene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (5Z)-5-[(3,4-difluorophenyl)meth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 916 0.28 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 237 0.31 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 4 0.39 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 916 0.28 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 237 0.31 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 3.6 0.39 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 916 0.28 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1650 0.27 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 3.6 0.39 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 14.7 0.37 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.72 3.76 -8.38 1 2 0 25 401.456 1 ↓

Analogs

12404508
12404508

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Popular Name: (5Z)-5-[(3-fluorophenyl)methylene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (5Z)-5-[(3-fluorophenyl)methylen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 798 0.29 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 180 0.33 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1 0.43 Binding ≤ 10μM
ANDR-1-E Androgen Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 795 0.29 Functional ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 458 0.31 Functional ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 798 0.29 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 180 0.33 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.83 0.44 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 798 0.29 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 180 0.33 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.83 0.44 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 795 0.29 Functional ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 458 0.31 Functional ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 51 0.35 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.61 1.99 -9.53 1 2 0 25 383.466 1 ↓

Analogs

13781706
13781706
13781707
13781707
24611286
24611286
3831984
3831984

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Popular Name: (5Z)-5-benzylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (5Z)-5-benzylidene-2,2,4-trimeth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2660 0.28 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 299 0.33 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.42 Binding ≤ 10μM
ANDR-1-E Androgen Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 650 0.31 Functional ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 737 0.31 Functional ≤ 10μM
MCR-1-E Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.28 Functional ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 24 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 299 0.33 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.9 0.42 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 2660 0.28 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 299 0.33 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.9 0.42 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 650 0.31 Functional ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 737 0.31 Functional ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 3000 0.28 Functional ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 24.4 0.38 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.47 1.33 -8.54 1 2 0 25 365.476 1 ↓

Parameters Provided:

ring.id = 102509
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 102509 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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