Compile Data Set for Download or QSAR

Found 10 hits for UniProtKB: P24462   

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
Cytochrome P450 3A7 (Homo sapiens)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human recombinant CYP3A7 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00724 BindingDB Entry DOI: 10.7270/Q2697778
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Cytochrome P450 (Homo sapiens (Human))	BDBM50508661 (CHEMBL4524830) Show SMILES Cn1cc(C2CCCCC2)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1 Show InChI InChI=1S/C19H23FN2O3S/c1-22-11-16(12-5-3-2-4-6-12)14-9-17(20)15(10-18(14)22)19(23)21-26(24,25)13-7-8-13/h9-13H,2-8H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP450				Bioorg Med Chem Lett 29: 659-663 (2019) Article DOI: 10.1016/j.bmcl.2018.12.013 BindingDB Entry DOI: 10.7270/Q2K64NC8
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Cytochrome P450 3A7 (Homo sapiens)	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
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Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CYP3A in human pooled human liver microsomes using midazolam as substrate assessed as midazolam 1'-hydroxylation preincubated for 5 min...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
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Cytochrome P450 3A7 [T409R] (Homo sapiens (Human))	BDBM50088503 (CHEMBL3527048) Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A7 harboring human P450 oxidoreductase and b5				Drug Metab Dispos 40: 1686-97 (2012) Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2
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Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50508419 (CHEMBL4471264) Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by tandem mass spectrometry analysis				J Med Chem 62: 575-588 (2019) Article DOI: 10.1021/acs.jmedchem.8b01168 BindingDB Entry DOI: 10.7270/Q2QZ2F8H
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair
Cytochrome P450 3A7 (Homo sapiens)	BDBM50584760 (CHEMBL2068968) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A7 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cytochrome P450 3A7 (Homo sapiens)	BDBM50584761 (BUFALIN | Bufalin | CHEBI:517248) Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4/3A43/3A5/3A7 (Homo sapiens (Human))	BDBM50527104 (CHEMBL4447583) Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to ...				J Med Chem 63: 1724-1749 (2020) Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7
					More data for this Ligand-Target Pair