Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50567995'   

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 (Homo sapiens (Human))	BDBM50567995 (CHEMBL4851471 | US11903936, Compound 20) Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00173 BindingDB Entry DOI: 10.7270/Q2NZ8CD4
					More data for this Ligand-Target Pair