BDBM50245254 CHEMBL4094739

SMILES: CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC

InChI Key: InChIKey=OEDGERSSZUMLBI-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 = 50245254   

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))	BDBM50245254 (CHEMBL4094739) Show SMILES CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC Show InChI InChI=1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full length His6-tagged BRAF (unknown origin) expressed in baculovirus expression system assessed as reduction in MEK phosphorylation b...				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair
TNNI3K (Homo sapiens (Human))	BDBM50245254 (CHEMBL4094739) Show SMILES CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC Show InChI InChI=1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mammalian ribonucleotide reductase				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245254 (CHEMBL4094739) Show SMILES CCS(=O)(=O)c1ccc(cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1)S(=O)(=O)NC Show InChI InChI=1S/C18H19ClN6O4S2/c1-3-30(26,27)15-6-5-13(31(28,29)20-2)8-14(15)24-17-9-18(23-11-22-17)25-16-7-4-12(19)10-21-16/h4-11,20H,3H2,1-2H3,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair