null

SMILES: CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1

InChI Key: InChIKey=XVXYXUQCGWHPKG-LBPRGKRZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 221690   

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))	BDBM221690 (US10568884, Cpd 11 | US9314464, 11 | US9593100, Co...) Show SMILES CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1 |r| Show InChI InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/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	0.5	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
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM221690 (US10568884, Cpd 11 | US9314464, 11 | US9593100, Co...) Show SMILES CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1 |r| Show InChI InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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))	BDBM221690 (US10568884, Cpd 11 | US9314464, 11 | US9593100, Co...) Show SMILES CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1 |r| Show InChI InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/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	0.5	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))	BDBM221690 (US10568884, Cpd 11 | US9314464, 11 | US9593100, Co...) Show SMILES CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1 |r| Show InChI InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/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	0.5	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