Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'fusi' and Initial = 'f'   

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
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50004704 ((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479923 (CHEMBL521744) Show SMILES C\C(=C\SS\C=C(\C)n1c(noc1=O)C(=O)c1ccc(Br)cc1)n1c(noc1=O)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C24H16Br2N4O6S2/c1-13(29-21(27-35-23(29)33)19(31)15-3-7-17(25)8-4-15)11-37-38-12-14(2)30-22(28-36-24(30)34)20(32)16-5-9-18(26)10-6-16/h3-12H,1-2H3/b13-11-,14-12-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479922 (CHEMBL489002) Show SMILES CC1=CSC(O)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C12H9BrN2O3S/c1-7-6-19-12(17,8-2-4-9(13)5-3-8)10-14-18-11(16)15(7)10/h2-6,17H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479455 (CHEMBL492668) Show SMILES CN(C)CCNC(=O)c1cc2ccccc2cc1O Show InChI InChI=1S/C15H18N2O2/c1-17(2)8-7-16-15(19)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3,(H,16,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes				J Med Chem 51: 5552-65 (2008) Article DOI: 10.1021/jm800151n BindingDB Entry DOI: 10.7270/Q24T6N5H
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479921 (CHEMBL508166) Show SMILES CS\C=C(\C)n1c(noc1=O)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C13H11BrN2O3S/c1-8(7-20-2)16-12(15-19-13(16)18)11(17)9-3-5-10(14)6-4-9/h3-7H,1-2H3/b8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM81464 (2-[(4-chlorophenyl)-(2-pyridyl)methoxy]ethyl-dimet...) Show SMILES CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes				J Med Chem 51: 5552-65 (2008) Article DOI: 10.1021/jm800151n BindingDB Entry DOI: 10.7270/Q24T6N5H
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50475854 (CHEMBL386435) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(C1CC1)C1CCNCC1 Show InChI InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of [3H]diltiazem binding to Sprague-Dawley rat cardiomyocytes				J Med Chem 49: 5206-16 (2006) Article DOI: 10.1021/jm0604373 BindingDB Entry DOI: 10.7270/Q2KP84W4
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM60973 ((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...) Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Perugia Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes				J Med Chem 51: 5552-65 (2008) Article DOI: 10.1021/jm800151n BindingDB Entry DOI: 10.7270/Q24T6N5H
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50479920 (CHEMBL523271) Show SMILES C[S+]([O-])\C=C(\C)n1c(noc1=O)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C13H11BrN2O4S/c1-8(7-21(2)19)16-12(15-20-13(16)18)11(17)9-3-5-10(14)6-4-9/h3-7H,1-2H3/b8-7-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Vietnam Academy of Science and Technology Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction				J Nat Prod 77: 1586-93 (2014) Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Vietnam Academy of Science and Technology Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction				J Nat Prod 77: 1586-93 (2014) Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	481	n/a	n/a	n/a	n/a	n/a	n/a
Vietnam Academy of Science and Technology Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in Wistar rat aorta rings assessed as reduction in L-type Ba(2+) current at Vh of -50 mV				J Nat Prod 77: 1586-93 (2014) Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180847 (CHEMBL3408523) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM85509 (CAS_55142-85-3 | NSC_5472 | Ticlopidine) Show SMILES Clc1ccccc1CN1CCc2sccc2C1 Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vietnam Academy of Science and Technology Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in endothelium-intact Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction				J Nat Prod 77: 1586-93 (2014) Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180846 (CHEMBL211204) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5| Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180841 (CHEMBL3819606) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50004704 ((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in Wistar rat tail artery smooth muscle cells assessed as blockade of barium-sensitive inward rectifying current...				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50180846 (CHEMBL211204) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5| Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50462274 (CHEMBL4246869) Show SMILES Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)c(c1)-c1ccccc1 Show InChI InChI=1S/C23H25ClN2O/c24-19-6-8-21(22(14-19)18-4-2-1-3-5-18)23-9-7-20(27-23)16-26-15-17-10-12-25-13-11-17/h1-9,14,17,25-26H,10-13,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of CaV1.2 channel in rat tail artery myocytes assessed as reduction in Ba2+ current at -50 mV holding potential by whole-cell patch-clamp ...				Eur J Med Chem 150: 698-718 (2018) Article DOI: 10.1016/j.ejmech.2018.03.024 BindingDB Entry DOI: 10.7270/Q2PC3518
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180844 (CHEMBL3818560) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180846 (CHEMBL211204) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5| Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180840 (CHEMBL3819185) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccccc1 |t:5| Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50180847 (CHEMBL3408523) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	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	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	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	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180847 (CHEMBL3408523) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3	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	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180847 (CHEMBL3408523) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1| Show InChI InChI=1S/C14H10BrF3N2O3S/c1-8-6-24-14(22-7-13(16,17)18,9-2-4-10(15)5-3-9)11-19-23-12(21)20(8)11/h2-6H,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180849 (CHEMBL3408529) Show SMILES FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1 Show InChI InChI=1S/C17H10BrF3N2O3S/c18-11-7-5-10(6-8-11)17(25-9-16(19,20)21)14-22-26-15(24)23(14)12-3-1-2-4-13(12)27-17/h1-8H,9H2	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	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180844 (CHEMBL3818560) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H16N2O4S/c1-3-23-18(12-8-10-13(22-2)11-9-12)16-19-24-17(21)20(16)14-6-4-5-7-15(14)25-18/h4-11H,3H2,1-2H3	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	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	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	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	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	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S (Rattus norvegicus-RAT)	BDBM50046397 (CHEMBL3314412) Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12 Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vietnam Academy of Science and Technology Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction				J Nat Prod 77: 1586-93 (2014) Article DOI: 10.1021/np500076v BindingDB Entry DOI: 10.7270/Q26H4K1N
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180841 (CHEMBL3819606) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3	PDB UniProtKB/SwissProt 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
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50180840 (CHEMBL3819185) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccccc1 |t:5| Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50180845 (CHEMBL3819349) Show SMILES COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O Show InChI InChI=1S/C18H13F3N2O4S/c1-25-12-8-6-11(7-9-12)18(26-10-17(19,20)21)15-22-27-16(24)23(15)13-4-2-3-5-14(13)28-18/h2-9H,10H2,1H3	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180841 (CHEMBL3819606) Show SMILES CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1| Show InChI InChI=1S/C14H11F3N2O3S/c1-9-7-23-14(21-8-13(15,16)17,10-5-3-2-4-6-10)11-18-22-12(20)19(9)11/h2-7H,8H2,1H3	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	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180846 (CHEMBL211204) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5| Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3	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	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50180843 (CHEMBL3819226) Show SMILES CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O3S/c1-2-21-17(12-8-4-3-5-9-12)15-18-22-16(20)19(15)13-10-6-7-11-14(13)23-17/h3-11H,2H2,1H3	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50180840 (CHEMBL3819185) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccccc1 |t:5| Show InChI InChI=1S/C14H14N2O3S/c1-3-18-14(11-7-5-4-6-8-11)12-15-19-13(17)16(12)10(2)9-20-14/h4-9H,3H2,1-2H3	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	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50180846 (CHEMBL211204) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5| Show InChI InChI=1S/C14H13BrN2O3S/c1-3-19-14(10-4-6-11(15)7-5-10)12-16-20-13(18)17(12)9(2)8-21-14/h4-8H,3H2,1-2H3	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	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50180842 (CHEMBL3818643) Show SMILES CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5| Show InChI InChI=1S/C15H16N2O4S/c1-4-20-15(11-5-7-12(19-3)8-6-11)13-16-21-14(18)17(13)10(2)9-22-15/h5-9H,4H2,1-3H3	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	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis				J Med Chem 59: 3340-52 (2016) Article DOI: 10.1021/acs.jmedchem.6b00030 BindingDB Entry DOI: 10.7270/Q29K4D50
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Mus musculus)	BDBM50293136 (4-Chloro-17-Azapentacycle[6.6.5.0(2,7).0(9,14).0(1...) Show SMILES Clc1ccc2C3C4C(C(c5ccccc35)c2c1)C(=O)NC4=O |TLB:20:6:15.4:9.14,17:7:15.4:9.14,16:15:9.14:7.6,10:9:15.4:7.6,THB:3:4:9.14:7.6,13:14:15.4:7.6| Show InChI InChI=1S/C18H12ClNO2/c19-8-5-6-11-12(7-8)14-10-4-2-1-3-9(10)13(11)15-16(14)18(22)20-17(15)21/h1-7,13-16H,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of mouse brain L-type Cav1.2 channel by radioligand binding assay				J Med Chem 52: 1259-62 (2010) Article DOI: 10.1021/jm801589x BindingDB Entry DOI: 10.7270/Q2NZ87NM
					More data for this Ligand-Target Pair

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