BindingDB PrimarySearch

BDBM50324210 (+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid::(3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid::CHEMBL1215331

SMILES: OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=XNULRSOGWPFPBL-REWPJTCUSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50324210
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to mineralocorticoid receptor (unknown origin)				J Med Chem 57: 4273-88 (2014) Article DOI: 10.1021/jm500206r BindingDB Entry DOI: 10.7270/Q2D50PGM
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay				J Med Chem 57: 4273-88 (2014) Article DOI: 10.1021/jm500206r BindingDB Entry DOI: 10.7270/Q2D50PGM
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay				J Med Chem 57: 4273-88 (2014) Article DOI: 10.1021/jm500206r BindingDB Entry DOI: 10.7270/Q2D50PGM
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at glucocorticoid receptor (unknown origin) by Gal4-based cellular assay				J Med Chem 57: 4273-88 (2014) Article DOI: 10.1021/jm500206r BindingDB Entry DOI: 10.7270/Q2D50PGM
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor (unknown origin) by Gal4-based cellular assay				J Med Chem 57: 4273-88 (2014) Article DOI: 10.1021/jm500206r BindingDB Entry DOI: 10.7270/Q2D50PGM
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at glucocorticoid receptor				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair