BDBM221705 US10568884, Cpd 26::US9314464, 26::US9593100, Compound 26

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

InChI Key: InChIKey=MISNBEQFUJYEAG-AWEZNQCLSA-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 = 221705   

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))	BDBM221705 (US10568884, Cpd 26 | US9314464, 26 | US9593100, Co...) Show SMILES CCS(=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/C23H29F2N7O4S/c1-6-37(34,35)31-21-17(24)8-7-15(19(21)25)20-16(12-32(30-20)13(2)3)18-9-10-26-22(29-18)27-11-14(4)28-23(33)36-5/h7-10,12-14,31H,6,11H2,1-5H3,(H,28,33)(H,26,27,29)/t14-/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	1.70	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))	BDBM221705 (US10568884, Cpd 26 | US9314464, 26 | US9593100, Co...) Show SMILES CCS(=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/C23H29F2N7O4S/c1-6-37(34,35)31-21-17(24)8-7-15(19(21)25)20-16(12-32(30-20)13(2)3)18-9-10-26-22(29-18)27-11-14(4)28-23(33)36-5/h7-10,12-14,31H,6,11H2,1-5H3,(H,28,33)(H,26,27,29)/t14-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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))	BDBM221705 (US10568884, Cpd 26 | US9314464, 26 | US9593100, Co...) Show SMILES CCS(=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/C23H29F2N7O4S/c1-6-37(34,35)31-21-17(24)8-7-15(19(21)25)20-16(12-32(30-20)13(2)3)18-9-10-26-22(29-18)27-11-14(4)28-23(33)36-5/h7-10,12-14,31H,6,11H2,1-5H3,(H,28,33)(H,26,27,29)/t14-/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	1.70	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))	BDBM221705 (US10568884, Cpd 26 | US9314464, 26 | US9593100, Co...) Show SMILES CCS(=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/C23H29F2N7O4S/c1-6-37(34,35)31-21-17(24)8-7-15(19(21)25)20-16(12-32(30-20)13(2)3)18-9-10-26-22(29-18)27-11-14(4)28-23(33)36-5/h7-10,12-14,31H,6,11H2,1-5H3,(H,28,33)(H,26,27,29)/t14-/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	1.70	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