Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 942   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM221684 (US10568884, Cpd 5 | US9314464, 5 | US9593100, Comp...) Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1nn(cc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)C |r| Show InChI InChI=1S/C24H32ClN7O4S/c1-6-9-37(34,35)31-19-11-17(10-18(25)12-19)22-20(14-32(30-22)15(2)3)21-7-8-26-23(29-21)27-13-16(4)28-24(33)36-5/h7-8,10-12,14-16,31H,6,9,13H2,1-5H3,(H,28,33)(H,26,27,29)/t16-/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	0.200	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))	BDBM221688 (US10568884, Cpd 9 | US9314464, 9 | US9593100, Comp...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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 US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221689 (US10568884, Cpd 10 | US9314464, 10 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/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	0.600	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 US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221699 (US10568884, Cpd 20 | US9314464, 20 | US9593100, Co...) Show SMILES COC(=O)N[C@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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))	BDBM221710 (US10568884, Cpd 31 | US9314464, 31 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1c[nH]nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F |r| Show InChI	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	0.800	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))	BDBM221681 (US10568884, Cpd 2 | US9314464, 2 | US9593100, Comp...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1)C(C)C |r| Show InChI InChI=1S/C22H28ClN7O4S/c1-13(2)30-12-18(19-6-7-24-21(27-19)25-11-14(3)26-22(31)34-4)20(28-30)15-8-16(23)10-17(9-15)29-35(5,32)33/h6-10,12-14,29H,11H2,1-5H3,(H,26,31)(H,24,25,27)/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	0.800	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))	BDBM221691 (US10568884, Cpd 12 | US9314464, 12 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C23H30FN7O4S/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	0.950	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 US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221694 (US10568884, Cpd 15 | US9314464, 15 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C(C)C |r| Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(24)9-18(19(15)23)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/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	1.10	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 US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221683 (US10568884, Cpd 4 | US9314464, 4 | US9593100, Comp...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cccc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H28FN7O4S/c1-13(2)30-12-16(17-9-10-24-21(27-17)25-11-14(3)26-22(31)34-4)20(28-30)15-7-6-8-18(19(15)23)29-35(5,32)33/h6-10,12-14,29H,11H2,1-5H3,(H,26,31)(H,24,25,27)/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	2.30	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 US9593099 (2017) BindingDB Entry DOI: 10.7270/Q2BV7JPK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM221711 (US10568884, Cpd 32 | US9314464, 32 | US9593100, Co...) Show SMILES COC(=O)NC[C@H](C)Nc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)27-13(3)10-26-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,26,32)(H,25,27,28)/t13-/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	2.90	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))	BDBM221685 (US10568884, Cpd 6 | US9314464, 6 | US9593100, Comp...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C |r,wD:5.5,(-7.74,6.48,;-6.41,5.71,;-5.08,6.48,;-5.08,8.02,;-3.74,5.71,;-3.74,4.17,;-5.08,3.4,;-2.41,3.4,;-2.41,1.86,;-1.08,1.09,;.26,1.86,;1.59,1.09,;1.59,-.45,;.26,-1.22,;-1.08,-.45,;.26,-2.76,;-.99,-3.66,;-.51,-5.13,;1.03,-5.13,;1.5,-3.66,;2.99,-3.27,;3.39,-1.78,;2.3,-.69,;4.88,-1.38,;5.97,-2.47,;5.57,-3.96,;6.66,-5.05,;6.26,-6.53,;5.86,-8.02,;4.77,-6.13,;7.74,-6.93,;4.08,-4.36,;3.68,-5.84,;-1.28,-6.46,;-.51,-7.8,;-2.82,-6.46,)| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/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	3.90	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))	BDBM221709 (US10568884, Cpd 30 | US9314464, 30 | US9593100, Co...) Show SMILES CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(N)n1 Show InChI InChI=1S/C17H18ClFN6O2S/c1-9(2)25-8-12(13-4-5-21-17(20)22-13)16(23-25)11-6-10(18)7-14(15(11)19)24-28(3,26)27/h4-9,24H,1-3H3,(H2,20,21,22)	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	4.30	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))	BDBM221698 (US10568884, Cpd 19 | US9314464, 19 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1ccc(F)c(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-15(17-8-9-25-21(28-17)26-10-13(3)27-22(32)35-4)19(29-31)14-6-7-16(23)20(18(14)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/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	6.10	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))	BDBM221708 (US10568884, Cpd 29 | US9314464, 29 | US9593100, Co...) Show SMILES CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C Show InChI InChI=1S/C18H20ClFN6O2S/c1-10(2)26-9-13(14-5-6-22-18(21-3)23-14)17(24-26)12-7-11(19)8-15(16(12)20)25-29(4,27)28/h5-10,25H,1-4H3,(H,21,22,23)	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	8	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))	BDBM221695 (US10568884, Cpd 16 | US9314464, 16 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1ccnc(NS(C)(=O)=O)c1F)C(C)C |r| Show InChI InChI=1S/C21H27FN8O4S/c1-12(2)30-11-15(16-7-9-24-20(27-16)25-10-13(3)26-21(31)34-4)18(28-30)14-6-8-23-19(17(14)22)29-35(5,32)33/h6-9,11-13H,10H2,1-5H3,(H,23,29)(H,26,31)(H,24,25,27)/t13-/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	24	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))	BDBM221707 (US10568884, Cpd 28 | US9314464, 28 | US9593100, Co...) Show SMILES CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NCCN(C)C)n1 Show InChI InChI=1S/C21H27ClFN7O2S/c1-13(2)30-12-16(17-6-7-24-21(26-17)25-8-9-29(3)4)20(27-30)15-10-14(22)11-18(19(15)23)28-33(5,31)32/h6-7,10-13,28H,8-9H2,1-5H3,(H,24,25,26)	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	90	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))	BDBM221706 (US10568884, Cpd 27 | US9314464, 27 | US9593100, Co...) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(NS(C)(=O)=O)c(C)c(OC)c1)C(C)C |r| Show InChI InChI=1S/C24H33N7O5S/c1-14(2)31-13-18(19-8-9-25-23(28-19)26-12-15(3)27-24(32)36-6)22(29-31)17-10-20(30-37(7,33)34)16(4)21(11-17)35-5/h8-11,13-15,30H,12H2,1-7H3,(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	390	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