BindingDB PrimarySearch

BDBM50094569 6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate::CHEMBL139835::Cyproterone 17-O-acetate::cid_9880::cyproterone acetate

SMILES: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

InChI Key: InChIKey=UWFYSQMTEOIJJG-FDTZYFLXSA-N

Data: 3 KI 6 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50094569
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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...				J Med Chem 33: 1919-24 (1990) BindingDB Entry DOI: 10.7270/Q2VD701M
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.				J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	636	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680				J Med Chem 33: 1919-24 (1990) BindingDB Entry DOI: 10.7270/Q2VD701M
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes with GTP				J Med Chem 47: 2243-55 (2004) Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes without GTP				J Med Chem 47: 2243-55 (2004) Article DOI: 10.1021/jm031092g BindingDB Entry DOI: 10.7270/Q2VQ33FT
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of [3H]-R-1881 binding to rat ventral prostrate cytosolic androgen receptor				J Med Chem 43: 4629-35 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HC6
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen Receptor (Homo sapiens (Human))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.				J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
LANA (Human herpesvirus 8)	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50094569 (6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclop...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells.				J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair