BDBM50513877 CHEMBL4579609

SMILES: COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F

InChI Key: InChIKey=SJSNJRWAMPFWPW-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 = 50513877   

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))	BDBM50513877 (CHEMBL4579609) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29)	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	470	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))	BDBM50513877 (CHEMBL4579609) Show SMILES COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F Show InChI InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	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