BDBM221686 US10568884, Cpd 7::US9314464, 7::US9593100, Compound 7

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F

InChI Key: InChIKey=BEPGTMTXHVYWRS-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 = 221686   

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))	BDBM221686 (US10568884, Cpd 7 | US9314464, 7 | US9593100, Comp...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r,wD:25.26,(6.55,-9.31,;6.95,-7.82,;5.86,-6.73,;6.26,-5.24,;4.77,-4.85,;7.74,-5.64,;6.66,-3.76,;5.57,-2.67,;5.97,-1.18,;4.88,-.09,;3.39,-.49,;2.3,.6,;2.99,-1.98,;1.5,-2.38,;1.03,-3.84,;-.51,-3.84,;-.99,-2.38,;.26,-1.47,;.26,.07,;1.59,.84,;1.59,2.38,;.26,3.15,;-1.08,2.38,;-2.41,3.15,;-2.41,4.69,;-3.74,5.46,;-5.08,4.69,;-3.74,7,;-5.08,7.77,;-5.08,9.31,;-6.41,7,;-7.74,7.77,;-1.08,.84,;-1.28,-5.17,;-.51,-6.51,;-2.82,-5.17,;4.08,-3.07,;3.68,-4.55,)| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-19-8-7-17(25)20(21(19)26)22-16(13-33(31-22)14(2)3)18-9-10-27-23(30-18)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	0.700	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))	BDBM221686 (US10568884, Cpd 7 | US9314464, 7 | US9593100, Comp...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r,wD:25.26,(6.55,-9.31,;6.95,-7.82,;5.86,-6.73,;6.26,-5.24,;4.77,-4.85,;7.74,-5.64,;6.66,-3.76,;5.57,-2.67,;5.97,-1.18,;4.88,-.09,;3.39,-.49,;2.3,.6,;2.99,-1.98,;1.5,-2.38,;1.03,-3.84,;-.51,-3.84,;-.99,-2.38,;.26,-1.47,;.26,.07,;1.59,.84,;1.59,2.38,;.26,3.15,;-1.08,2.38,;-2.41,3.15,;-2.41,4.69,;-3.74,5.46,;-5.08,4.69,;-3.74,7,;-5.08,7.77,;-5.08,9.31,;-6.41,7,;-7.74,7.77,;-1.08,.84,;-1.28,-5.17,;-.51,-6.51,;-2.82,-5.17,;4.08,-3.07,;3.68,-4.55,)| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-19-8-7-17(25)20(21(19)26)22-16(13-33(31-22)14(2)3)18-9-10-27-23(30-18)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	0.700	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))	BDBM221686 (US10568884, Cpd 7 | US9314464, 7 | US9593100, Comp...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r,wD:25.26,(6.55,-9.31,;6.95,-7.82,;5.86,-6.73,;6.26,-5.24,;4.77,-4.85,;7.74,-5.64,;6.66,-3.76,;5.57,-2.67,;5.97,-1.18,;4.88,-.09,;3.39,-.49,;2.3,.6,;2.99,-1.98,;1.5,-2.38,;1.03,-3.84,;-.51,-3.84,;-.99,-2.38,;.26,-1.47,;.26,.07,;1.59,.84,;1.59,2.38,;.26,3.15,;-1.08,2.38,;-2.41,3.15,;-2.41,4.69,;-3.74,5.46,;-5.08,4.69,;-3.74,7,;-5.08,7.77,;-5.08,9.31,;-6.41,7,;-7.74,7.77,;-1.08,.84,;-1.28,-5.17,;-.51,-6.51,;-2.82,-5.17,;4.08,-3.07,;3.68,-4.55,)| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-19-8-7-17(25)20(21(19)26)22-16(13-33(31-22)14(2)3)18-9-10-27-23(30-18)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	0.700	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))	BDBM221686 (US10568884, Cpd 7 | US9314464, 7 | US9593100, Comp...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F |r,wD:25.26,(6.55,-9.31,;6.95,-7.82,;5.86,-6.73,;6.26,-5.24,;4.77,-4.85,;7.74,-5.64,;6.66,-3.76,;5.57,-2.67,;5.97,-1.18,;4.88,-.09,;3.39,-.49,;2.3,.6,;2.99,-1.98,;1.5,-2.38,;1.03,-3.84,;-.51,-3.84,;-.99,-2.38,;.26,-1.47,;.26,.07,;1.59,.84,;1.59,2.38,;.26,3.15,;-1.08,2.38,;-2.41,3.15,;-2.41,4.69,;-3.74,5.46,;-5.08,4.69,;-3.74,7,;-5.08,7.77,;-5.08,9.31,;-6.41,7,;-7.74,7.77,;-1.08,.84,;-1.28,-5.17,;-.51,-6.51,;-2.82,-5.17,;4.08,-3.07,;3.68,-4.55,)| Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-19-8-7-17(25)20(21(19)26)22-16(13-33(31-22)14(2)3)18-9-10-27-23(30-18)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	0.700	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