BDBM50245253 CHEMBL4074231

SMILES: CNS(=O)(=O)c1ccc(c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1)S(C)(=O)=O

InChI Key: InChIKey=RHWOBHBDPJEVSK-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 = 50245253   

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
TNNI3K (Homo sapiens (Human))	BDBM50245253 (CHEMBL4074231) Show SMILES CNS(=O)(=O)c1ccc(c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1)S(C)(=O)=O Show InChI InChI=1S/C17H17ClN6O4S2/c1-19-30(27,28)12-4-5-14(29(2,25)26)13(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10,19H,1-2H3,(H2,20,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50245253 (CHEMBL4074231) Show SMILES CNS(=O)(=O)c1ccc(c(Nc2cc(Nc3ccc(Cl)cn3)ncn2)c1)S(C)(=O)=O Show InChI InChI=1S/C17H17ClN6O4S2/c1-19-30(27,28)12-4-5-14(29(2,25)26)13(7-12)23-16-8-17(22-10-21-16)24-15-6-3-11(18)9-20-15/h3-10,19H,1-2H3,(H2,20,21,22,23,24)	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	200	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