BDBM50513883 CHEMBL4452568

SMILES: COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F

InChI Key: InChIKey=NJASJKWXPXABRA-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 = 50513883   

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))	BDBM50513883 (CHEMBL4452568) Show SMILES COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-20-13-7-10(9-25-18(13)26-28-20)19-27-29-21(34-19)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,26,28)	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	>1.00E+3	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))	BDBM50513883 (CHEMBL4452568) Show SMILES COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F Show InChI InChI=1S/C21H13ClF2N6O4S/c1-33-20-13-7-10(9-25-18(13)26-28-20)19-27-29-21(34-19)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,26,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	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