Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'manaka' and Initial = 'a'   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50414514 (PROTOCATECHUAMIDE) Show SMILES NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296245 (3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098971 (3-({3-Benzyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-...) Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1Cc1ccccc1)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H23N5O4S/c1-14-19(22(32)26-12-11-18(29)30)33-23(28(14)13-15-5-3-2-4-6-15)27-21(31)17-9-7-16(8-10-17)20(24)25/h2-10H,11-13H2,1H3,(H3,24,25)(H,26,32)(H,29,30)/b27-23-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098967 (3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-ethyl-4...) Show SMILES CCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C18H21N5O4S/c1-3-23-10(2)14(17(27)21-9-8-13(24)25)28-18(23)22-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,3,8-9H2,1-2H3,(H3,19,20)(H,21,27)(H,24,25)/b22-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of immobilized HUVEC adhesion on fibronectin				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098964 (3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...) Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098966 (3-[3-(4-Carbamimidoyl-benzoylamino)-phenyl]-propio...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C17H17N3O3/c18-16(19)12-5-7-13(8-6-12)17(23)20-14-3-1-2-11(10-14)4-9-15(21)22/h1-3,5-8,10H,4,9H2,(H3,18,19)(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of ADP (2 microM) induced platelet aggregation of human platelet rich plasma				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098969 (3-[2-(4-Carbamimidoyl-benzoylamino)-4-methyl-thiaz...) Show SMILES Cc1nc(NC(=O)c2ccc(cc2)C(N)=N)sc1CCC(O)=O Show InChI InChI=1S/C15H16N4O3S/c1-8-11(6-7-12(20)21)23-15(18-8)19-14(22)10-4-2-9(3-5-10)13(16)17/h2-5H,6-7H2,1H3,(H3,16,17)(H,20,21)(H,18,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of ADP (3 microM)induced platelet aggregation of guinea pig platelet rich plasma				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098968 (3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...) Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of immobilized HUVEC adhesion on fibrinogen				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098972 (3-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-4-me...) Show SMILES CN(C(=O)c1ccc(cc1)C(N)=N)c1nc(C)c(CCC(O)=O)s1 Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(19-9)20(2)15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098970 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-methyl-6...) Show SMILES Cn1c2CN(CCC(O)=O)C(=O)c2s\c1=N/C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H17N5O4S/c1-21-11-8-22(7-6-12(23)24)16(26)13(11)27-17(21)20-15(25)10-4-2-9(3-5-10)14(18)19/h2-5H,6-8H2,1H3,(H3,18,19)(H,23,24)/b20-17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098964 (3-({3-Butyl-2-[(Z)-4-carbamimidoyl-benzoylimino]-4...) Show SMILES CCCCn1c(C)c(s\c1=N/C(=O)c1ccc(cc1)C(N)=N)C(=O)NCCC(O)=O Show InChI InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)/b24-20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of ADP (5 microM) induced platelet aggregation of mouse platelet rich plasma				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098965 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimeth...) Show SMILES Cc1c(CCC(O)=O)s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n1C Show InChI InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(20(9)2)19-15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)/b19-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098968 (3-({2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimet...) Show SMILES CN(CCC(O)=O)C(=O)c1s\c(=N/C(=O)c2ccc(cc2)C(N)=N)n(C)c1C Show InChI InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)/b21-18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098969 (3-[2-(4-Carbamimidoyl-benzoylamino)-4-methyl-thiaz...) Show SMILES Cc1nc(NC(=O)c2ccc(cc2)C(N)=N)sc1CCC(O)=O Show InChI InChI=1S/C15H16N4O3S/c1-8-11(6-7-12(20)21)23-15(18-8)19-14(22)10-4-2-9(3-5-10)13(16)17/h2-5H,6-7H2,1H3,(H3,16,17)(H,20,21)(H,18,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098970 (3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3-methyl-6...) Show SMILES Cn1c2CN(CCC(O)=O)C(=O)c2s\c1=N/C(=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H17N5O4S/c1-21-11-8-22(7-6-12(23)24)16(26)13(11)27-17(21)20-15(25)10-4-2-9(3-5-10)14(18)19/h2-5H,6-8H2,1H3,(H3,18,19)(H,23,24)/b20-17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50098966 (3-[3-(4-Carbamimidoyl-benzoylamino)-phenyl]-propio...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1cccc(CCC(O)=O)c1 Show InChI InChI=1S/C17H17N3O3/c18-16(19)12-5-7-13(8-6-12)17(23)20-14-3-1-2-11(10-14)4-9-15(21)22/h1-3,5-8,10H,4,9H2,(H3,18,19)(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA				Bioorg Med Chem Lett 11: 1031-5 (2001) BindingDB Entry DOI: 10.7270/Q29G5M2G
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50094938 (5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmetha...) Show SMILES CSc1ccnc(CS(=O)c2nc3ccc(OC(C)C)cc3[nH]2)c1 Show InChI InChI=1S/C17H19N3O2S2/c1-11(2)22-13-4-5-15-16(9-13)20-17(19-15)24(21)10-12-8-14(23-3)6-7-18-12/h4-9,11H,10H2,1-3H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of CD45				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50302545 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1	PDB MMDB 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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50302545 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302545 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-ind...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O3/c1-15-14-24(21(27)16-7-3-2-4-8-16)11-12-25(15)22(28)20(26)18-13-23-19-10-6-5-9-17(18)19/h2-10,13,15,23H,11-12,14H2,1H3/t15-/m1/s1	PDB MMDB 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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50302544 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB MMDB 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	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50228518 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50302543 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB MMDB 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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 using 7-benzyloxyresorufin as substrate				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50133282 ((R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-meth...) Show SMILES COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)c3ccccc3)c12 |r| Show InChI InChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50228518 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50228518 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)18(26)17-12-23-19-16(17)8-5-9-22-19/h2-9,12,14H,10-11,13H2,1H3,(H,22,23)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302544 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB MMDB 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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50302543 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB MMDB 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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50302543 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-12-23-18-7-8-22-11-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB MMDB 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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50094938 (5-Isopropoxy-2-(4-methylsulfanyl-pyridin-2-ylmetha...) Show SMILES CSc1ccnc(CS(=O)c2nc3ccc(OC(C)C)cc3[nH]2)c1 Show InChI InChI=1S/C17H19N3O2S2/c1-11(2)22-13-4-5-15-16(9-13)20-17(19-15)24(21)10-12-8-14(23-3)6-7-18-12/h4-9,11H,10H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PTP1B				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296247 (3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxyindol-3-yl)...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)\C=C\c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C19H18N2O4/c22-14-3-4-16-15(10-14)13(11-21-16)7-8-20-19(25)6-2-12-1-5-17(23)18(24)9-12/h1-6,9-11,21-24H,7-8H2,(H,20,25)/b6-2+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50228465 (1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-py...) Show SMILES COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12 Show InChI InChI=1S/C22H22N4O5/c1-30-16-13-24-20(31-2)18-17(16)15(12-23-18)19(27)22(29)26-10-8-25(9-11-26)21(28)14-6-4-3-5-7-14/h3-7,12-13,23H,8-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50094936 (CHEMBL86473 | Vanadate) Show SMILES O[V](=O)=O Show InChI InChI=1S/H2O.2O.V/h1H2;;;/q;;;+1/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PP2A				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50094936 (CHEMBL86473 | Vanadate) Show SMILES O[V](=O)=O Show InChI InChI=1S/H2O.2O.V/h1H2;;;/q;;;+1/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PP1				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50094936 (CHEMBL86473 | Vanadate) Show SMILES O[V](=O)=O Show InChI InChI=1S/H2O.2O.V/h1H2;;;/q;;;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of CD45				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C19				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50302544 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-5-3-2-4-6-15)9-10-25(14)21(28)19(26)17-11-23-18-12-22-8-7-16(17)18/h2-8,11-12,14,23H,9-10,13H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50094936 (CHEMBL86473 | Vanadate) Show SMILES O[V](=O)=O Show InChI InChI=1S/H2O.2O.V/h1H2;;;/q;;;+1/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PTP-S2				Bioorg Med Chem Lett 10: 2657-60 (2000) BindingDB Entry DOI: 10.7270/Q2MK6C54
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP1A2				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2D6				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50302542 ((R)-1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyr...) Show SMILES C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4O3/c1-14-13-24(20(27)15-6-3-2-4-7-15)10-11-25(14)21(28)19(26)16-12-23-17-8-5-9-22-18(16)17/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of recombinant CYP3A4 using 7-benzyloxyresorufin as substrate				J Med Chem 52: 7778-87 (2009) Article DOI: 10.1021/jm900843g BindingDB Entry DOI: 10.7270/Q2Q81D5G
					More data for this Ligand-Target Pair

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