Identical Ligands in BindingDB

Found 16 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scinti...				J Med Chem 59: 750-5 (2016) Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused androgen receptor (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells as...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (262/263 > 99%)† (Rattus norvegicus (Rat))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of rat AR-mediated reporter gene expression in COS7 cells				Bioorg Med Chem Lett 16: 3233-7 (2006) Article DOI: 10.1016/j.bmcl.2006.03.047 BindingDB Entry DOI: 10.7270/Q2Q52QDP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (262/263 > 99%)† (Rattus norvegicus (Rat))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.09	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Radius Health, Inc. Curated by ChEMBL					Assay Description Binding affinity to androgen receptor by fluorescence binding assay				Bioorg Med Chem Lett 20: 7516-20 (2010) Article DOI: 10.1016/j.bmcl.2010.09.140 BindingDB Entry DOI: 10.7270/Q2FJ2HR0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.21	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 303 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 273 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 283 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.95	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 310K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant value of the radiolabeled compound against the androgen receptor 293 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 298 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 278 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				J Med Chem 53: 3349-60 (2010) Article DOI: 10.1021/jm100052k BindingDB Entry DOI: 10.7270/Q2BP03RQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in mouse C2C12 cells cotransfected with GRE/ARE reporter plasmid assessed as receptor transacti...				J Med Chem 59: 750-5 (2016) Article DOI: 10.1021/acs.jmedchem.5b01168 BindingDB Entry DOI: 10.7270/Q2H70HQ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 288 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor   (263/263 = 100%)† (Homo sapiens (Human))	BDBM50367916 (METHYLTRIENOLONE | Metribolone | R-1881) Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.51	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Dissociation constant for [3H]R-1881 binding to human androgen receptor at 308 K				J Med Chem 48: 2026-35 (2005) Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX
					More data for this Ligand-Target Pair				3D Structure (crystal)

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