Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM311153'   

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))	BDBM311153 ((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24FN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP
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