Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A7'   

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
					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	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
					More data for this Ligand-Target Pair
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
					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