BDBM221692 US10568884, Cpd 13::US9314464, 13::US9593100, Compound 13

SMILES: COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C

InChI Key: InChIKey=YIEWFBJIVDMNJO-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 = 221692   

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))	BDBM221692 (US10568884, Cpd 13 | US9314464, 13 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C |r| Show InChI InChI=1S/C23H30ClN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/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	1	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))	BDBM221692 (US10568884, Cpd 13 | US9314464, 13 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C |r| Show InChI InChI=1S/C23H30ClN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/t15-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM221692 (US10568884, Cpd 13 | US9314464, 13 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C |r| Show InChI InChI=1S/C23H30ClN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/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	1	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))	BDBM221692 (US10568884, Cpd 13 | US9314464, 13 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C |r| Show InChI InChI=1S/C23H30ClN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/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	1	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