BDBM50513879 CHEMBL4574656

SMILES: COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1F

InChI Key: InChIKey=BXSNWDRZYFXOFK-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 = 50513879   

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))	BDBM50513879 (CHEMBL4574656) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-15-8-12(10-24-20(15)26-27-21)17-11-30(29-25-17)18-7-3-6-16(19(18)23)28-34(31,32)14-5-2-4-13(22)9-14/h2-11,28H,1H3,(H,24,26,27)	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	795	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair
Mixed lineage kinase 7 (Homo sapiens (Human))	BDBM50513879 (CHEMBL4574656) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H15ClFN7O3S/c1-33-21-15-8-12(10-24-20(15)26-27-21)17-11-30(29-25-17)18-7-3-6-16(19(18)23)28-34(31,32)14-5-2-4-13(22)9-14/h2-11,28H,1H3,(H,24,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 63: 2114-2130 (2020) Article DOI: 10.1021/acs.jmedchem.9b00664
					More data for this Ligand-Target Pair