Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM383152'   

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))	BDBM383152 (US10273259, Example 863 | US10711020, Example 863) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1CCC#N |r| Show InChI InChI=1S/C29H25F8N3O4S/c30-19-4-6-20(7-5-19)45(43,44)26-12-15-40(25(42)22-9-11-24(41)39(22)14-1-13-38)23(26)10-2-17-16-18(3-8-21(17)26)27(31,28(32,33)34)29(35,36)37/h3-8,16,22-23H,1-2,9-12,14-15H2/t22-,23+,26+/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
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