Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2/2C18/2C19' and Ligand = 'BDBM461263'   

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 1A2/2C18/2C19 (Homo sapiens (Human))	BDBM461263 (US10774056, Compound 027 | US11542242, Compound 02...) Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H24N6O/c1-27-10-12-28(13-11-27)21-5-3-18(15-25-21)22(29)26-20-14-17(2-4-19(20)23)16-6-8-24-9-7-16/h2-9,14-15H,10-13,23H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
REGENACY PHARMACEUTICALS, INC. US Patent					Assay Description For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &...				US Patent US10774056 (2020) BindingDB Entry DOI: 10.7270/Q25D8VXS
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