Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 1A2' and Ligand = 'BDBM50493818'   

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))	BDBM50493818 (Oliceridine | TRV-130 | US11124523, Comparative Co...) Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113986 BindingDB Entry DOI: 10.7270/Q2TX3K84
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Rattus norvegicus)	BDBM50493818 (Oliceridine | TRV-130 | US11124523, Comparative Co...) Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes				Citation and Details BindingDB Entry DOI: 10.7270/Q2M90CTM
					More data for this Ligand-Target Pair