Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'davis' and Initial = 'rl'   

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 (Homo sapiens (Human))	BDBM50077095 (CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...) Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077104 (CHEMBL431493 | Cis-(4aR,12bS)-11-Trifluoromethyl-2...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor				J Med Chem 42: 210-2 (1999) Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50073060 ((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...) Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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 expressed in COS-1 cells				J Med Chem 42: 210-2 (1999) Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18190 (6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...) Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077105 (CHEMBL418198 | Trans-6-Ethyl-7-methyl-4-trifluorom...) Show SMILES CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077112 (CHEMBL27812 | Cis-(3aR,11bS)-10-Trifluoromethyl-1,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12 Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)12-5-15(22)21-14-6-13-10(4-11(12)14)9-3-1-2-8(9)7-20-13/h4-6,8-9,20H,1-3,7H2,(H,21,22)/t8-,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077115 (CHEMBL282204 | Cis-6,7-Dimethyl-4-trifluoromethyl-...) Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077097 (6-Methyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...) Show SMILES CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-7-2-3-18-11-6-12-9(4-8(7)11)10(14(15,16)17)5-13(20)19-12/h4-7,18H,2-3H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	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 CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077111 (6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...) Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077108 (6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077109 (6-Isopropyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-8(2)9-3-4-20-13-7-14-11(5-10(9)13)12(16(17,18)19)6-15(22)21-14/h5-9,20H,3-4H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077096 (CHEMBL25802 | Trans-11-Trifluoromethyl-2,3,4,4a,5,...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12 Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077099 (CHEMBL436344 | Trans-6,7-Dimethyl-4-trifluoromethy...) Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-7-6-19-12-5-13-10(3-9(12)8(7)2)11(15(16,17)18)4-14(21)20-13/h3-5,7-8,19H,6H2,1-2H3,(H,20,21)/t7-,8?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18190 (6-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyri...) Show SMILES CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	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 expressed in COS-1 cells				J Med Chem 42: 210-2 (1999) Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077114 (4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12 Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077100 (6-Isobutyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H...) Show SMILES CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-9(2)5-10-3-4-21-14-8-15-12(6-11(10)14)13(17(18,19)20)7-16(23)22-15/h6-10,21H,3-5H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403736 (CHEMBL2113261) Show SMILES CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-8(2)7-20-13-6-14-11(4-10(9)13)12(16(17,18)19)5-15(22)21-14/h4-6,8-9,20H,3,7H2,1-2H3,(H,21,22)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077113 (6-Propyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-p...) Show SMILES CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-2-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21-14/h6-9,20H,2-5H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077110 (6,6-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)5-6-21-14-9-13-10(7-12(14)16)11(17(18,19)20)8-15(23)22-13/h7-9,21H,3-6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	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 CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403735 (CHEMBL2113248) Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077094 (6-Ethyl-1,9-dimethyl-4-trifluoromethyl-6,7,8,9-tet...) Show SMILES CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-4-10-5-6-21(2)14-9-15-12(7-11(10)14)13(17(18,19)20)8-16(23)22(15)3/h7-10H,4-6H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	263	n/a	n/a	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 CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077107 (6-Ethyl-9-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...) Show SMILES CCC1CCN(C)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-5-21(2)14-8-13-11(6-10(9)14)12(16(17,18)19)7-15(22)20-13/h6-9H,3-5H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	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 to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403734 (CHEMBL2113247) Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077101 (4-Ethyl-8-oxo-6-trifluoromethyl-3,4,8,9-tetrahydro...) Show SMILES CCC1CCN(C=O)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-3-4-21(8-22)14-7-13-11(5-10(9)14)12(16(17,18)19)6-15(23)20-13/h5-9H,2-4H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077102 (6-(3,5-Bis-trifluoromethyl-phenyl)-4-trifluorometh...) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C21H13F9N2O/c22-19(23,24)10-3-9(4-11(5-10)20(25,26)27)12-1-2-31-16-8-17-14(6-13(12)16)15(21(28,29)30)7-18(33)32-17/h3-8,12,31H,1-2H2,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50073060 ((9R,10S,11S,13S,17S)-9-Fluoro-11,17-dihydroxy-10,1...) Show SMILES C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9| Show InChI InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14?,15?,16-,17-,18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity against Human Androgen receptor expressed in CV-1 cells				J Med Chem 42: 210-2 (1999) Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells				J Med Chem 42: 210-2 (1999) Article DOI: 10.1021/jm9806648 BindingDB Entry DOI: 10.7270/Q2F76D8W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319027 ((+/-)-3-(amino(2-(2-aminopyrimidin-4-yl)-3-methylb...) Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077114 (4-Trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12 Show InChI InChI=1S/C13H11F3N2O/c14-13(15,16)9-5-12(19)18-11-6-10-7(4-8(9)11)2-1-3-17-10/h4-6,17H,1-3H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077108 (6,6-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) Show SMILES CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C15H15F3N2O/c1-14(2)3-4-19-12-7-11-8(5-10(12)14)9(15(16,17)18)6-13(21)20-11/h5-7,19H,3-4H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077111 (6-Ethyl-1-methyl-4-trifluoromethyl-6,7,8,9-tetrahy...) Show SMILES CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O/c1-3-9-4-5-20-13-8-14-11(6-10(9)13)12(16(17,18)19)7-15(22)21(14)2/h6-9,20H,3-5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319021 (3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...) Show SMILES Cc1c(sc2ccc(Cc3cccc(O)c3)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C20H17N3OS/c1-12-16-11-14(9-13-3-2-4-15(24)10-13)5-6-18(16)25-19(12)17-7-8-22-20(21)23-17/h2-8,10-11,24H,9H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319025 (3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...) Show SMILES Cc1c(sc2ccc(Nc3cccc(O)c3)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C19H16N4OS/c1-11-15-10-13(22-12-3-2-4-14(24)9-12)5-6-17(15)25-18(11)16-7-8-21-19(20)23-16/h2-10,22,24H,1H3,(H2,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319026 ((+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methyl...) Show SMILES COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319031 ((+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]t...) Show SMILES Cc1c(sc2ccc(cc12)C(N)c1ccccc1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319035 ((+/-)-4-(5-(1-aminobutyl)-3-methylbenzo[b]thiophen...) Show SMILES CCCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C17H20N4S/c1-3-4-13(18)11-5-6-15-12(9-11)10(2)16(22-15)14-7-8-20-17(19)21-14/h5-9,13H,3-4,18H2,1-2H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403735 (CHEMBL2113248) Show SMILES CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C18H21F3N2O/c1-9(2)4-11-10(3)8-22-15-7-16-13(5-12(11)15)14(18(19,20)21)6-17(24)23-16/h5-7,9-11,22H,4,8H2,1-3H3,(H,23,24)/t10-,11+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319037 ((+/-)-4-(5-(1-amino-3-methylbutyl)-3-methylbenzo[b...) Show SMILES CC(C)CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C18H22N4S/c1-10(2)8-14(19)12-4-5-16-13(9-12)11(3)17(23-16)15-6-7-21-18(20)22-15/h4-7,9-10,14H,8,19H2,1-3H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319005 ((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...) Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319029 ((+/-)--4-(5-(amino(3-chlorophenyl)methyl)-3-methyl...) Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C20H17ClN4S/c1-11-15-10-13(18(22)12-3-2-4-14(21)9-12)5-6-17(15)26-19(11)16-7-8-24-20(23)25-16/h2-10,18H,22H2,1H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319030 ((+/-)--4-(5-(amino(m-tolyl)methyl)-3-methylbenzo[b...) Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4S/c1-12-4-3-5-14(10-12)19(22)15-6-7-18-16(11-15)13(2)20(26-18)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319022 (3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...) Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1 Show InChI InChI=1S/C21H17N3O2S/c1-12-16-11-14(9-13-3-2-4-15(10-13)20(25)26)5-6-18(16)27-19(12)17-7-8-23-21(22)24-17/h2-8,10-11H,9H2,1H3,(H,25,26)(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319036 ((+/-)-4-(5-(1-amino-2-methylpropyl)-3-methylbenzo[...) Show SMILES CC(C)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C17H20N4S/c1-9(2)15(18)11-4-5-14-12(8-11)10(3)16(22-14)13-6-7-20-17(19)21-13/h4-9,15H,18H2,1-3H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077095 (CHEMBL281945 | Trans-7-Methyl-4-trifluoromethyl-6-...) Show SMILES C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	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 CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone u...				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50403734 (CHEMBL2113247) Show SMILES C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O/c1-8-7-24-13-6-14-11(12(17(21,22)23)5-15(26)25-14)4-10(13)9(8)2-3-16(18,19)20/h4-6,8-9,24H,2-3,7H2,1H3,(H,25,26)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50077110 (6,6-Diethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1...) Show SMILES CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C17H19F3N2O/c1-3-16(4-2)5-6-21-14-9-13-10(7-12(14)16)11(17(18,19)20)8-15(23)22-13/h7-9,21H,3-6H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	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 CV-1 cells using cotransfection assay				Bioorg Med Chem Lett 9: 1335-40 (1999) BindingDB Entry DOI: 10.7270/Q2JM2B4G
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50319028 ((+/-)--4-(5-(amino(4-methoxyphenyl)methyl)-3-methy...) Show SMILES COc1ccc(cc1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1 Show InChI InChI=1S/C21H20N4OS/c1-12-16-11-14(19(22)13-3-6-15(26-2)7-4-13)5-8-18(16)27-20(12)17-9-10-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as ATP cunsumption				Bioorg Med Chem Lett 20: 3361-6 (2010) Article DOI: 10.1016/j.bmcl.2010.04.020 BindingDB Entry DOI: 10.7270/Q289161H
					More data for this Ligand-Target Pair

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