null

SMILES: O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1

InChI Key: InChIKey=YBIKJBVQOXSYEV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364644   

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))	BDBM50364644 (CHEMBL1951341) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C25H24N6O2/c32-24(29-18-5-1-2-6-18)17-4-3-7-20(14-17)31-25(33)30-19-10-8-16(9-11-19)21-12-13-26-23-22(21)27-15-28-23/h3-4,7-15,18H,1-2,5-6H2,(H,29,32)(H,26,27,28)(H2,30,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+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 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))	BDBM50364644 (CHEMBL1951341) Show SMILES O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C25H24N6O2/c32-24(29-18-5-1-2-6-18)17-4-3-7-20(14-17)31-25(33)30-19-10-8-16(9-11-19)21-12-13-26-23-22(21)27-15-28-23/h3-4,7-15,18H,1-2,5-6H2,(H,29,32)(H,26,27,28)(H2,30,31,33)	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	70	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