Compile Data Set for Download or QSAR

Found 782 hits with Last Name = 'ohara' and Initial = 't'   

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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35714 (CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...) Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50029644 (CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...) Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards Vasopressin V1a receptor in rat liver				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50513317 (CHEMBL4465620) Show SMILES O=C(NCC(=S)NCCCC[C@@H]1NC(=O)CNC1=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 |r| Show InChI InChI=1S/C31H35N5O4S/c37-28-20-33-31(39)27(36-28)15-6-7-17-32-29(41)21-34-30(38)25-13-4-5-14-26(25)35-23-11-8-12-24(19-23)40-18-16-22-9-2-1-3-10-22/h1-5,8-14,19,27,35H,6-7,15-18,20-21H2,(H,32,41)(H,33,39)(H,34,38)(H,36,37)/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged SIRT2 expressed in Escherichia coli using p53 (Gln-Pro-Lys-Lys(Ac)) (317 to 320 residues) as substrate incu...				J Med Chem 62: 5844-5862 (2019) Article DOI: 10.1021/acs.jmedchem.9b00255 BindingDB Entry DOI: 10.7270/Q2JH3QJR
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50513318 (CHEMBL4516553) Show SMILES O=C(CNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1)NCCCC[C@@H]1NC(=O)CNC1=O |r| Show InChI InChI=1S/C31H35N5O5/c37-28(32-17-7-6-15-27-31(40)34-21-29(38)36-27)20-33-30(39)25-13-4-5-14-26(25)35-23-11-8-12-24(19-23)41-18-16-22-9-2-1-3-10-22/h1-5,8-14,19,27,35H,6-7,15-18,20-21H2,(H,32,37)(H,33,39)(H,34,40)(H,36,38)/t27-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Prefectural University of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged SIRT2 expressed in Escherichia coli using p53 (Gln-Pro-Lys-Lys(Ac)) (317 to 320 residues) as substrate incu...				J Med Chem 62: 5844-5862 (2019) Article DOI: 10.1021/acs.jmedchem.9b00255 BindingDB Entry DOI: 10.7270/Q2JH3QJR
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM92463 (Imipenem) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)[C@@H](N2C1=O)C(O)=O |r,w:11.11| Show InChI InChI=1S/C12H19N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-10,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,8?,9-,10-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50029644 (CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...) Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12 Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity of the compound towards Vasopressin V1a receptor in human liver				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50140672 ((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...) Show SMILES CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM92461 (Beta-lactam compound, 4) Show SMILES CCCCCCC[C@@H](O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |r| Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,14-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM92464 (Carbenicillin) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10+,11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM50140671 ((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...) Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM92462 (Beta-lactam compound, 3) Show SMILES CCCCCCC[C@@H](O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |r| Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11+,12+,14-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.04E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
York University					Assay Description Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.				J Biol Chem 286: 37292-303 (2011) Article DOI: 10.1074/jbc.M111.280115 BindingDB Entry DOI: 10.7270/Q2QV3K38
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269429 (CHEMBL4084855) Show SMILES COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-4-6-17(29-3)7-5-16)10-11-27(15)21-24-19(12-20(28)25(21)2)18-8-9-22-14-23-18/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269428 (CHEMBL4063206) Show SMILES COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(16-5-4-6-17(11-16)29-3)9-10-27(15)21-24-19(12-20(28)25(21)2)18-7-8-22-14-23-18/h4-8,11-12,14-15H,9-10,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269437 (CHEMBL4077376) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1F |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(18-6-4-3-5-15(18)21)9-10-27(14)20-24-17(11-19(28)25(20)2)16-7-8-22-13-23-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269438 (CHEMBL4076060) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269443 (CHEMBL4095848) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN6O/c1-14-12-26(16-5-3-4-15(21)10-16)8-9-27(14)20-24-18(11-19(28)25(20)2)17-6-7-22-13-23-17/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269440 (CHEMBL4065818) Show SMILES COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O2/c1-15-13-26(18-6-4-5-7-19(18)29-3)10-11-27(15)21-24-17(12-20(28)25(21)2)16-8-9-22-14-23-16/h4-9,12,14-15H,10-11,13H2,1-3H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094076 (CHEMBL434654 | N-[4-(7-Chloro-2,3,4,5-tetrahydro-b...) Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269439 (CHEMBL4077048) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN6O/c1-14-12-26(16-5-3-15(21)4-6-16)9-10-27(14)20-24-18(11-19(28)25(20)2)17-7-8-22-13-23-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269426 (CHEMBL3719193) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r| Show InChI InChI=1S/C20H22N6O/c1-15-13-25(16-6-4-3-5-7-16)10-11-26(15)20-23-18(12-19(27)24(20)2)17-8-9-21-14-22-17/h3-9,12,14-15H,10-11,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155160 (US9006232, 1.106) Show SMILES COc1cccc(c1)N1CCCC(C1)Oc1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C21H23N5O3/c1-25-20(27)12-19(18-8-9-22-14-23-18)24-21(25)29-17-7-4-10-26(13-17)15-5-3-6-16(11-15)28-2/h3,5-6,8-9,11-12,14,17H,4,7,10,13H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269431 (CHEMBL4074586) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-4-16(10-17)12-22)8-9-28(15)21-25-19(11-20(29)26(21)2)18-6-7-23-14-24-18/h3-7,10-11,14-15H,8-9,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269413 (CHEMBL4093559) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(17-5-3-16(12-22)4-6-17)9-10-28(15)21-25-19(11-20(29)26(21)2)18-7-8-23-14-24-18/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50338593 (3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6...) Show SMILES Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1\C=C(/F)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H28ClF2N5O2/c1-18-22(15-24(30)27(36)31-9-12-35-10-2-3-11-35)26(33-17-32-18)34-21-7-8-25(23(28)14-21)37-16-19-5-4-6-20(29)13-19/h4-8,13-15,17H,2-3,9-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR by homogeneous time-resolved fluorescence assay				Bioorg Med Chem Lett 21: 1601-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.119 BindingDB Entry DOI: 10.7270/Q2RX9CCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50360457 (CHEMBL1934623) Show SMILES CC(C)NCc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C30H28ClFN4O/c1-20(2)33-17-23-9-7-22(8-10-23)11-13-27-21(3)34-19-35-30(27)36-26-12-14-29(28(31)16-26)37-18-24-5-4-6-25(32)15-24/h4-10,12,14-16,19-20,33H,17-18H2,1-3H3,(H,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064157 (CHEMBL3401132) Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064156 (CHEMBL3401131) Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269415 (CHEMBL4065956) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-3-6-20-7-4-15)9-10-26(14)19-23-17(11-18(27)24(19)2)16-5-8-21-13-22-16/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269416 (CHEMBL4067170) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccnc1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(15-4-3-6-20-11-15)8-9-26(14)19-23-17(10-18(27)24(19)2)16-5-7-21-13-22-16/h3-7,10-11,13-14H,8-9,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094079 ((4-Amino-2-methyl-phenyl)-(7-chloro-2,3,4,5-tetrah...) Show SMILES Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc12 Show InChI InChI=1S/C18H19ClN2O/c1-12-10-15(20)6-7-16(12)18(22)21-9-3-2-4-13-11-14(19)5-8-17(13)21/h5-8,10-11H,2-4,9,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269417 (CHEMBL4093930) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r| Show InChI InChI=1S/C19H21N7O/c1-14-12-25(17-5-3-4-7-21-17)9-10-26(14)19-23-16(11-18(27)24(19)2)15-6-8-20-13-22-15/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064154 (CHEMBL3401129) Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269430 (CHEMBL4101293) Show SMILES C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1C#N |r| Show InChI InChI=1S/C21H21N7O/c1-15-13-27(19-6-4-3-5-16(19)12-22)9-10-28(15)21-25-18(11-20(29)26(21)2)17-7-8-23-14-24-17/h3-8,11,14-15H,9-10,13H2,1-2H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064152 (CHEMBL3401127) Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094068 ((2-Chloro-4-ethylamino-phenyl)-(7-chloro-2,3,4,5-t...) Show SMILES CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N2O/c1-2-22-15-7-8-16(17(21)12-15)19(24)23-10-4-3-5-13-11-14(20)6-9-18(13)23/h6-9,11-12,22H,2-5,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094086 ((4-Allylamino-2-chloro-phenyl)-(2,3,4,5-tetrahydro...) Show SMILES Clc1cc(NCC=C)ccc1C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C20H21ClN2O/c1-2-12-22-16-10-11-17(18(21)14-16)20(24)23-13-6-5-8-15-7-3-4-9-19(15)23/h2-4,7,9-11,14,22H,1,5-6,8,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155169 (US9006232, 1.203) Show SMILES CN1CCN(Cc2ccc(cc2)N2CCC(CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 Show InChI InChI=1S/C26H33N7O2/c1-30-13-15-32(16-14-30)18-20-3-5-21(6-4-20)33-11-8-22(9-12-33)35-26-29-24(17-25(34)31(26)2)23-7-10-27-19-28-23/h3-7,10,17,19,22H,8-9,11-16,18H2,1-2H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50360459 (CHEMBL1934625) Show SMILES CN(C)Cc1ccc(cc1)C#Cc1c(C)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN4O/c1-20-26(13-11-21-7-9-22(10-8-21)17-35(2)3)29(33-19-32-20)34-25-12-14-28(27(30)16-25)36-18-23-5-4-6-24(31)15-23/h4-10,12,14-16,19H,17-18H2,1-3H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis				Bioorg Med Chem Lett 22: 456-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.103 BindingDB Entry DOI: 10.7270/Q2NV9JP4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50064143 (CHEMBL3401118) Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r| Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...				Bioorg Med Chem Lett 25: 1086-91 (2015) Article DOI: 10.1016/j.bmcl.2015.01.005 BindingDB Entry DOI: 10.7270/Q2WD428R
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094082 ((2-Chloro-4-pyrrol-1-yl-phenyl)-(2,3,4,5-tetrahydr...) Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccc1 Show InChI InChI=1S/C21H19ClN2O/c22-19-15-17(23-12-5-6-13-23)10-11-18(19)21(25)24-14-4-3-8-16-7-1-2-9-20(16)24/h1-2,5-7,9-13,15H,3-4,8,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155226 (US9006232, 1.903) Show SMILES CN1CCN(Cc2ccc(cc2)[C@H]2CC[C@@H](CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 |r,wU:12.12,wD:15.19,(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,2.31,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;-2,-.77,;-3.33,,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;.67,-2.31,;4.67,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;8.67,-2.31,;10,-3.08,;7.34,-3.08,;7.34,-4.62,;7.34,1.54,;6,2.31,;6,3.85,;7.34,4.62,;8.67,3.85,;8.67,2.31,;-6,,;-7.34,-.77,)| Show InChI InChI=1S/C27H34N6O2/c1-31-13-15-33(16-14-31)18-20-3-5-21(6-4-20)22-7-9-23(10-8-22)35-27-30-25(17-26(34)32(27)2)24-11-12-28-19-29-24/h3-6,11-12,17,19,22-23H,7-10,13-16,18H2,1-2H3/t22-,23-	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269427 (CHEMBL4082198) Show SMILES C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C21H24N6O/c1-16-13-26(14-17-6-4-3-5-7-17)10-11-27(16)21-24-19(12-20(28)25(21)2)18-8-9-22-15-23-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000, Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spect...				Bioorg Med Chem Lett 27: 3733-3738 (2017) Article DOI: 10.1016/j.bmcl.2017.06.077 BindingDB Entry DOI: 10.7270/Q2XW4N9C
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155185 (US9006232, 1.219) Show SMILES Cn1c(OC2CCN(CC2)c2ccc(CN3Cc4ccccc4C3)cc2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C29H30N6O2/c1-33-28(36)16-27(26-10-13-30-20-31-26)32-29(33)37-25-11-14-35(15-12-25)24-8-6-21(7-9-24)17-34-18-22-4-2-3-5-23(22)19-34/h2-10,13,16,20,25H,11-12,14-15,17-19H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50094066 ((2-Chloro-4-pyrazol-1-yl-phenyl)-(2,3,4,5-tetrahyd...) Show SMILES Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccn1 Show InChI InChI=1S/C20H18ClN3O/c21-18-14-16(24-13-5-11-22-24)9-10-17(18)20(25)23-12-4-3-7-15-6-1-2-8-19(15)23/h1-2,5-6,8-11,13-14H,3-4,7,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to human Vasopressin V2 receptor expressed in HeLa cells				J Med Chem 43: 4388-97 (2000) BindingDB Entry DOI: 10.7270/Q2PG1R04
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Bos taurus (cattle))	BDBM155158 (US9006232, 1.104) Show SMILES Cn1c(OC2CCCN(C2)c2cccc(F)c2)nc(cc1=O)-c1ccncn1 Show InChI InChI=1S/C20H20FN5O2/c1-25-19(27)11-18(17-7-8-22-13-23-17)24-20(25)28-16-6-3-9-26(12-16)15-5-2-4-14(21)10-15/h2,4-5,7-8,10-11,13,16H,3,6,9,12H2,1H3	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	6.5	25
Mitsubishi Tanabe Pharma Corporation US Patent					Assay Description A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% gly...				US Patent US9006232 (2015) BindingDB Entry DOI: 10.7270/Q25T3J7B
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 782 total )  |  Next  |  Last  >>

Jump to: