BDBM50075576 CHEMBL3415554

SMILES: CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1

InChI Key: InChIKey=IIDTUADQWHMXCU-UHFFFAOYSA-N

Data: 3 IC50  2 Kd  1 EC50

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 6 hits for monomerid = 50075576   

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))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Inhibition of wild type B-Raf (unknown origin) assessed as inhibition of phosphorylation of peptide substrate				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	<800	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	n/a	100	n/a	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Binding affinity to wild type B-Raf (unknown origin)				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	n/a	n/a	<500	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50075576 (CHEMBL3415554) Show SMILES CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-3-27(25,26)23-10-5-13(19)15(14(20)6-10)16(24)12-8-22-17-11(12)4-9(18)7-21-17/h4-8,23H,2-3H2,1H3,(H,21,22)	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	n/a	140	n/a	n/a	n/a	n/a	n/a
UMR CNRS-Universit£ d'Orl£ans 7311 Curated by ChEMBL					Assay Description Binding affinity to B-Raf V600E mutant (unknown origin)				J Med Chem 58: 1818-31 (2015) Article DOI: 10.1021/jm501667n BindingDB Entry DOI: 10.7270/Q27M09N7
					More data for this Ligand-Target Pair