Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'labrie' and Initial = 'p'   

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 1D (Homo sapiens (Human))	BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136466 (CHEMBL343492 | Dimethyl-[2-(6-pyridin-3-yl-indol-1...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1cccnc1 Show InChI InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136469 (4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1 Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136462 (4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1 Show InChI InChI=1S/C17H24N2O2/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136465 (CHEMBL343105 | Dimethyl-{2-[6-(tetrahydro-pyran-4-...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCOCC1 Show InChI InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136471 ((S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-e...) Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1 Show InChI InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136464 (CHEMBL138873 | Dimethyl-{2-[6-(tetrahydro-thiopyra...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCSCC1 Show InChI InChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136468 (CHEMBL138821 | Dimethyl-[2-(6-thiophen-3-yl-indol-...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccsc1 Show InChI InChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136467 (CHEMBL343712 | {2-[6-(3,6-Dihydro-2H-thiopyran-4-y...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCSCC1 |t:16| Show InChI InChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136463 (CHEMBL138462 | {2-[6-(3,6-Dihydro-2H-pyran-4-yl)-i...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCOCC1 |t:16| Show InChI InChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136470 (CHEMBL139438 | Dimethyl-[2-(6-naphthalen-2-yl-indo...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2/c1-23(2)13-14-24-12-11-18-8-10-21(16-22(18)24)20-9-7-17-5-3-4-6-19(17)15-20/h3-12,15-16H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	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	195	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	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	393	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	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	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	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	6.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2C8 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome after 45 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50209505 (CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(...) Show SMILES COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC Show InChI InChI=1S/C30H32N4O4/c1-34(16-14-21-12-13-27(37-2)28(18-21)38-3)17-15-31-30(36)24-9-5-7-11-26(24)33-29(35)23-19-22-8-4-6-10-25(22)32-20-23/h4-13,18-20H,14-17H2,1-3H3,(H,31,36)(H,33,35)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2A6 expressed in insect microsome after 15 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in insect microsome after 30 mins				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50209506 (CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	124	n/a	n/a	n/a	n/a
Université Laval Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay				Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5
					More data for this Ligand-Target Pair

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