BDBM50131831 CHEMBL3632718

SMILES: Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)-c3ccccc3)ccc12

InChI Key: InChIKey=PYBNNACSMHESLC-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 = 50131831   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50131831 (CHEMBL3632718) Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)-c3ccccc3)ccc12 Show InChI InChI=1S/C32H30N6O/c1-32(2,3)22-11-8-12-23(17-22)35-31-37-26-18-24(13-14-29(26)38(31)4)39-25-15-16-33-27(19-25)30-34-20-28(36-30)21-9-6-5-7-10-21/h5-20H,1-4H3,(H,34,36)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA				ACS Med Chem Lett 6: 961-5 (2015) BindingDB Entry DOI: 10.7270/Q28W3G4S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50131831 (CHEMBL3632718) Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)-c3ccccc3)ccc12 Show InChI InChI=1S/C32H30N6O/c1-32(2,3)22-11-8-12-23(17-22)35-31-37-26-18-24(13-14-29(26)38(31)4)39-25-15-16-33-27(19-25)30-34-20-28(36-30)21-9-6-5-7-10-21/h5-20H,1-4H3,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity towards acetylcholine esterase (AChE)				ACS Med Chem Lett 6: 961-5 (2015) BindingDB Entry DOI: 10.7270/Q28W3G4S
					More data for this Ligand-Target Pair