BDBM50500971 CHEMBL3798983

SMILES: CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1

InChI Key: InChIKey=KNOQVYGPDZKJHQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50500971   

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))	BDBM50500971 (CHEMBL3798983) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1 Show InChI InChI=1S/C21H15Cl2N5O3S/c1-24-19(29)17-9-13(6-7-25-17)31-12-3-5-16-18(10-12)32-21(27-16)28-20(30)26-11-2-4-14(22)15(23)8-11/h2-10H,1H3,(H,24,29)(H2,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin) measured after 40 mins by scintillation counting				Eur J Med Chem 115: 201-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.039 BindingDB Entry DOI: 10.7270/Q27947QQ
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50500971 (CHEMBL3798983) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1 Show InChI InChI=1S/C21H15Cl2N5O3S/c1-24-19(29)17-9-13(6-7-25-17)31-12-3-5-16-18(10-12)32-21(27-16)28-20(30)26-11-2-4-14(22)15(23)8-11/h2-10H,1H3,(H,24,29)(H2,26,27,28,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as reduction in channel current by automated patch-clamp electrophysiology assay				Eur J Med Chem 115: 201-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.039 BindingDB Entry DOI: 10.7270/Q27947QQ
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50500971 (CHEMBL3798983) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(Cl)c(Cl)c4)sc3c2)ccn1 Show InChI InChI=1S/C21H15Cl2N5O3S/c1-24-19(29)17-9-13(6-7-25-17)31-12-3-5-16-18(10-12)32-21(27-16)28-20(30)26-11-2-4-14(22)15(23)8-11/h2-10H,1H3,(H,24,29)(H2,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of human C-RAF measured after 40 mins by scintillation counting				Eur J Med Chem 115: 201-16 (2016) Article DOI: 10.1016/j.ejmech.2016.02.039 BindingDB Entry DOI: 10.7270/Q27947QQ
					More data for this Ligand-Target Pair