Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'hanano' 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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human Coagulation factor X.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088845 (CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088840 (CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088842 (CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088843 (CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088843 (CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088845 (CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088840 (CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088847 (CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088847 (CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088842 (CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088847 (CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088843 (CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088843 (CHEMBL171115 | N-{4-[4-(4-Methoxy-phenyl)-piperazi...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1 Show InChI InChI=1S/C21H27N3O2/c1-17(25)22-15-18-3-5-19(6-4-18)16-23-11-13-24(14-12-23)20-7-9-21(26-2)10-8-20/h3-10H,11-16H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human Coagulation factor X.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088840 (CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088845 (CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human plasmin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088842 (CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human Coagulation factor X.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088847 (CHEMBL171345 | N-{4-[4-(4-Chloro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088845 (CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088842 (CHEMBL171052 | N-{4-[4-(4-Fluoro-phenyl)-piperazin...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H24FN3O/c1-16(25)22-14-17-2-4-18(5-3-17)15-23-10-12-24(13-11-23)20-8-6-19(21)7-9-20/h2-9H,10-15H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088840 (CHEMBL352576 | N-{4-[4-(2,4-Difluoro-phenyl)-piper...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1 Show InChI InChI=1S/C20H23F2N3O/c1-15(26)23-13-16-2-4-17(5-3-16)14-24-8-10-25(11-9-24)20-7-6-18(21)12-19(20)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50443871 (CHEMBL3091536) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CK1 (unknown origin)				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443880 (CHEMBL3091537) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C20H18N6O2/c1-25-19(27)10-17(16-6-7-22-13-23-16)24-20(25)26-8-9-28-18(12-26)15-4-2-14(11-21)3-5-15/h2-7,10,13,18H,8-9,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443881 (CHEMBL3091531) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443879 (CHEMBL3091538) Show SMILES COc1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-7-8-21-13-22-16)23-20(24)25-9-10-28-18(12-25)14-3-5-15(27-2)6-4-14/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443876 (CHEMBL3091540) Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/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	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443876 (CHEMBL3091540) Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443875 (CHEMBL3091541) Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/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	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443882 (CHEMBL3091529) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/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	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443875 (CHEMBL3091541) Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r| Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443872 (CHEMBL3091544) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r| Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/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	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443881 (CHEMBL3091531) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443884 (CHEMBL3091546) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1 Show InChI InChI=1S/C20H20N4O2/c1-23-19(25)13-17(15-7-9-21-10-8-15)22-20(23)24-11-12-26-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3	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	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443877 (CHEMBL3091539) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/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	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50443883 (CHEMBL3091547) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3	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	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair

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