Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM328171'   

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 3A4 (Homo sapiens (Human))	BDBM328171 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- met...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C33H35N5O4/c1-42-29-9-6-25(7-10-29)31(39)26-12-18-38(19-13-26)33(41)30-11-8-27(21-35-30)32(40)36-28-14-16-37(17-15-28)22-24-4-2-23(20-34)3-5-24/h2-11,21,26,28H,12-19,22H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116951 BindingDB Entry DOI: 10.7270/Q2HX1HM7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM328171 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- met...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C33H35N5O4/c1-42-29-9-6-25(7-10-29)31(39)26-12-18-38(19-13-26)33(41)30-11-8-27(21-35-30)32(40)36-28-14-16-37(17-15-28)22-24-4-2-23(20-34)3-5-24/h2-11,21,26,28H,12-19,22H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116951 BindingDB Entry DOI: 10.7270/Q2HX1HM7
					More data for this Ligand-Target Pair