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SMILES: O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12

InChI Key: InChIKey=DQTWQNOOTFOMSH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364631   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50364631 (CHEMBL1951326) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12 Show InChI InChI=1S/C19H15N5O/c25-19(23-14-4-2-1-3-5-14)24-15-8-6-13(7-9-15)16-10-11-20-18-17(16)21-12-22-18/h1-12H,(H,20,21,22)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364631 (CHEMBL1951326) Show SMILES O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12 Show InChI InChI=1S/C19H15N5O/c25-19(23-14-4-2-1-3-5-14)24-15-8-6-13(7-9-15)16-10-11-20-18-17(16)21-12-22-18/h1-12H,(H,20,21,22)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 22: 1611-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.125 BindingDB Entry DOI: 10.7270/Q2T72HXJ
					More data for this Ligand-Target Pair