BDBM221713 US10568884, Cpd 34::US9314464, 34::US9593100, Compound 34

SMILES: CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F

InChI Key: InChIKey=GTVBBDKLBUVTKF-HNNXBMFYSA-N

Data: 4 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 4 hits for monomerid = 221713   

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))	BDBM221713 (US10568884, Cpd 34 | US9314464, 34 | US9593100, Co...) Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-22-18(25)8-7-16(20(22)26)21-17(13-33(31-21)14(2)3)19-9-10-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description B-Raf (V600E; 4 μM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, ...				US Patent US9314464 (2016) BindingDB Entry DOI: 10.7270/Q2J67FS0
					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM221713 (US10568884, Cpd 34 | US9314464, 34 | US9593100, Co...) Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-22-18(25)8-7-16(20(22)26)21-17(13-33(31-21)14(2)3)19-9-10-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The B-Raf kinase activity reaction was started by the addition of 10 μl piper well of 2×ATP (10 μM) diluted in assay buffer. After 3 hours,...				US Patent US10568884 (2020) BindingDB Entry DOI: 10.7270/Q2XK8HZN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221713 (US10568884, Cpd 34 | US9314464, 34 | US9593100, Co...) Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-22-18(25)8-7-16(20(22)26)21-17(13-33(31-21)14(2)3)19-9-10-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...				US Patent US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221713 (US10568884, Cpd 34 | US9314464, 34 | US9593100, Co...) Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-22-18(25)8-7-16(20(22)26)21-17(13-33(31-21)14(2)3)19-9-10-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...				US Patent US9593100 (2017) BindingDB Entry DOI: 10.7270/Q2765HDB
					More data for this Ligand-Target Pair