Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'naidu' and Initial = 'ps'   

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
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198694 (US9221796, 23b) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198726 (US9221796, 46, P-2) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330324 (CHEMBL4170867) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to GluN2B receptor in human cortex				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330409 (CHEMBL4168402) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 |r| Show InChI InChI=1S/C23H26F2N2O2/c1-16-2-4-17(5-3-16)14-26-13-11-21(22(26)29)27-12-10-20(23(24,25)15-27)18-6-8-19(28)9-7-18/h2-9,20-21,28H,10-15H2,1H3/t20?,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50330410 (CHEMBL4161899) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM198735 (US9221796, 48, P-3) Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-21(22(26)28)25-11-9-19(20(24)14-25)16-3-7-18(27)8-4-16/h1-8,19-21,27H,9-14H2/t19-,20+,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation coun...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to GluN2B receptor in human cortex				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation of human GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced chann...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM198694 (US9221796, 23b) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(CC3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-2-4-18(5-3-17)16-25-15-12-22(23(25)27)24-13-10-20(11-14-24)19-6-8-21(26)9-7-19/h2-9,20,22,26H,10-16H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50307794 (2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM198665 (US9221796, 2b) Show SMILES Oc1ccc(cc1)C1CCN(CC1)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50307794 (2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propa...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1ncccc1C Show InChI InChI=1S/C19H24N2O/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(22)21-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237307 (4-Acetamidophenyl 2-(2-(4-isobutylphenyl)propanami...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Oc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C23H28N2O4/c1-15(2)13-18-5-7-19(8-6-18)16(3)23(28)24-14-22(27)29-21-11-9-20(10-12-21)25-17(4)26/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237308 (ibu-am14 (9)) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Nc1ncccc1C Show InChI InChI=1S/C21H27N3O2/c1-14(2)12-17-7-9-18(10-8-17)16(4)21(26)23-13-19(25)24-20-15(3)6-5-11-22-20/h5-11,14,16H,12-13H2,1-4H3,(H,23,26)(H,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM198735 (US9221796, 48, P-3) Show SMILES Oc1ccc(cc1)[C@@H]1CCN(C[C@H]1F)[C@@H]1CCN(Cc2ccc(F)cc2)C1=O |r| Show InChI InChI=1S/C22H24F2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-21(22(26)28)25-11-9-19(20(24)14-25)16-3-7-18(27)8-4-16/h1-8,19-21,27H,9-14H2/t19-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50330324 (CHEMBL4170867) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237310 (2-(4-Isobutylphenyl)-N-(3-(3-methylpyridin-2-ylami...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCC(=O)Nc1ncccc1C Show InChI InChI=1S/C22H29N3O2/c1-15(2)14-18-7-9-19(10-8-18)17(4)22(27)24-13-11-20(26)25-21-16(3)6-5-12-23-21/h5-10,12,15,17H,11,13-14H2,1-4H3,(H,24,27)(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP2D6 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP1A2 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP2C19 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP2C8 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP2C9 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP3A4 in human liver microsomes using BFC/BZR as substrate				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 CYP2B6 in human liver microsomes				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM198728 (US9221796, 46, P-4) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50330409 (CHEMBL4168402) Show SMILES Cc1ccc(CN2CC[C@@H](N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1 |r| Show InChI InChI=1S/C23H26F2N2O2/c1-16-2-4-17(5-3-16)14-26-13-11-21(22(26)29)27-12-10-20(23(24,25)15-27)18-6-8-19(28)9-7-18/h2-9,20-21,28H,10-15H2,1H3/t20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM198726 (US9221796, 46, P-2) Show SMILES Cc1ccc(CN2CC[C@@H](N3CC[C@@H]([C@@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C23H27FN2O2/c1-16-2-4-17(5-3-16)14-26-13-11-22(23(26)28)25-12-10-20(21(24)15-25)18-6-8-19(27)9-7-18/h2-9,20-22,27H,10-15H2,1H3/t20-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology...				ACS Med Chem Lett 9: 472-477 (2018) Article DOI: 10.1021/acsmedchemlett.8b00080 BindingDB Entry DOI: 10.7270/Q2PR7ZJT
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237312 (2-(4-Isobutylphenyl)-N-(2-oxo-2-(pyridin-3-ylmethy...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)NCc1cccnc1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)11-17-6-8-19(9-7-17)16(3)21(26)24-14-20(25)23-13-18-5-4-10-22-12-18/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237311 (2-(4-Isobutylphenyl)-N-(2-oxo-2-(pyridin-2- ylmeth...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)NCc1ccccn1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)12-17-7-9-18(10-8-17)16(3)21(26)24-14-20(25)23-13-19-6-4-5-11-22-19/h4-11,15-16H,12-14H2,1-3H3,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237306 (3-Methylpyridin-2-yl 2-(4-isobutylphenyl)propanoat...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)Oc1ncccc1C Show InChI InChI=1S/C19H23NO2/c1-13(2)12-16-7-9-17(10-8-16)15(4)19(21)22-18-14(3)6-5-11-20-18/h5-11,13,15H,12H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+5	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM237309 (2-(4-Isobutylphenyl)-N-(2-(6-methylpyridin-2-ylami...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCC(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C21H27N3O2/c1-14(2)12-17-8-10-18(11-9-17)16(4)21(26)22-13-20(25)24-19-7-5-6-15(3)23-19/h5-11,14,16H,12-13H2,1-4H3,(H,22,26)(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	7.0	4
Umeå University					Assay Description Frozen (−80°C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7....				J Enzyme Inhib Med Chem 28: 172-82 (2013) Article DOI: 10.3109/14756366.2011.643304 BindingDB Entry DOI: 10.7270/Q2BG2MWD
					More data for this Ligand-Target Pair