Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM328133'   

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))	BDBM328133 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(2,4- d...) Show SMILES Fc1ccc(C(=O)C2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c(F)c1 Show InChI InChI=1S/C32H31F2N5O3/c33-25-6-7-27(28(34)17-25)30(40)23-9-15-39(16-10-23)32(42)24-5-8-29(36-19-24)31(41)37-26-11-13-38(14-12-26)20-22-3-1-21(18-35)2-4-22/h1-8,17,19,23,26H,9-16,20H2,(H,37,41)	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))	BDBM328133 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(2,4- d...) Show SMILES Fc1ccc(C(=O)C2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c(F)c1 Show InChI InChI=1S/C32H31F2N5O3/c33-25-6-7-27(28(34)17-25)30(40)23-9-15-39(16-10-23)32(42)24-5-8-29(36-19-24)31(41)37-26-11-13-38(14-12-26)20-22-3-1-21(18-35)2-4-22/h1-8,17,19,23,26H,9-16,20H2,(H,37,41)	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