BDBM50377353 CHEMBL409442

SMILES: CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C

InChI Key: InChIKey=RFENYOLLCXWBKT-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377353   

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 3A4 (Homo sapiens (Human))	BDBM50377353 (CHEMBL409442) Show SMILES CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C Show InChI InChI=1S/C20H21N9O/c1-10(2)15-14(19-27-28-20(21-4)30-19)8-29-16(15)18(23-9-24-29)26-13-6-12-5-11(3)25-17(12)22-7-13/h5-10H,1-4H3,(H,21,28)(H,22,25)(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 2985-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.057 BindingDB Entry DOI: 10.7270/Q28053HZ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50377353 (CHEMBL409442) Show SMILES CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C Show InChI InChI=1S/C20H21N9O/c1-10(2)15-14(19-27-28-20(21-4)30-19)8-29-16(15)18(23-9-24-29)26-13-6-12-5-11(3)25-17(12)22-7-13/h5-10H,1-4H3,(H,21,28)(H,22,25)(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human VEGFR2				Bioorg Med Chem Lett 18: 2985-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.057 BindingDB Entry DOI: 10.7270/Q28053HZ
					More data for this Ligand-Target Pair