Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'poon' and Initial = 'dj'   

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 Chk1 (Homo sapiens (Human))	BDBM50185219 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(4.27,-32.71,;5.6,-33.48,;5.6,-35.02,;6.93,-35.79,;8.27,-35.03,;9.61,-35.79,;10.95,-35.01,;12.28,-35.78,;10.94,-33.46,;12.27,-32.69,;13.68,-33.32,;14.7,-32.18,;16.24,-32.18,;17.02,-30.84,;16.23,-29.5,;14.69,-29.51,;13.93,-30.84,;12.43,-31.16,;9.59,-32.69,;9.59,-31.15,;8.64,-29.94,;8.36,-28.54,;7.01,-27.94,;5.55,-28.58,;5.74,-29.96,;7.27,-29.3,;7.53,-27.41,;7.08,-26.31,;8.26,-33.47,;6.93,-32.71,)| Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185221 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(quinu...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(17.38,-9.04,;18.71,-9.81,;18.71,-11.36,;20.04,-12.13,;21.38,-11.36,;22.72,-12.13,;24.06,-11.35,;25.39,-12.12,;24.05,-9.8,;25.38,-9.02,;26.79,-9.65,;27.81,-8.51,;29.35,-8.51,;30.13,-7.17,;29.34,-5.83,;27.8,-5.84,;27.04,-7.17,;25.54,-7.5,;22.7,-9.02,;22.7,-7.48,;21.75,-6.27,;21.47,-4.88,;20.12,-4.28,;18.65,-4.92,;18.85,-6.3,;20.38,-5.64,;20.64,-3.75,;20.19,-2.64,;21.37,-9.81,;20.04,-9.04,)| Show InChI InChI=1S/C24H25N5O/c1-14-6-7-17-16(12-14)22(25-20-13-29-10-8-15(20)9-11-29)21(24(30)28-17)23-26-18-4-2-3-5-19(18)27-23/h2-7,12,15,20H,8-11,13H2,1H3,(H,26,27)(H2,25,28,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185218 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185217 (3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-7-8-15-14(10-12)19(24-13-4-3-9-23-11-13)18(21(28)27-15)20-25-16-5-1-2-6-17(16)26-20/h1-2,5-8,10,13,23H,3-4,9,11H2,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26034 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12 Show InChI InChI=1S/C20H16BrN5O2/c1-26-18-7-6-14(28-15-8-9-23-17(11-15)19(22)27)10-16(18)25-20(26)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H2,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26023 (4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185224 (3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-8-9-16-15(11-13)20(24-14-5-4-10-23-12-14)19(22(28)27-16)21-25-17-6-2-3-7-18(17)26-21/h2-3,6-9,11,14,23H,4-5,10,12H2,1H3,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26023 (4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185220 (3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-6-7-16-15(12-13)20(24-14-8-10-23-11-9-14)19(22(28)27-16)21-25-17-4-2-3-5-18(17)26-21/h2-7,12,14,23H,8-11H2,1H3,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185216 (3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-5-6-15-14(11-12)19(24-13-7-9-23-10-8-13)18(21(28)27-15)20-25-16-3-1-2-4-17(16)26-20/h1-6,11,13,23H,7-10H2,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26022 (4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(Br)c4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(8-9-24-18)29-15-6-7-19-17(11-15)26-21(27(19)2)25-14-5-3-4-13(22)10-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26037 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12 Show InChI InChI=1S/C22H20BrN5O3/c1-28-20-7-6-16(31-17-8-9-24-19(13-17)21(30)25-10-11-29)12-18(20)27-22(28)26-15-4-2-14(23)3-5-15/h2-9,12-13,29H,10-11H2,1H3,(H,25,30)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26028 (4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26025 (N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26038 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CCCC1CCCCN1NC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C28H31BrN6O2/c1-3-6-21-7-4-5-16-35(21)33-27(36)25-18-23(14-15-30-25)37-22-12-13-26-24(17-22)32-28(34(26)2)31-20-10-8-19(29)9-11-20/h8-15,17-18,21H,3-7,16H2,1-2H3,(H,31,32)(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185226 ((R)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185215 ((S)-3-(1H-benzo[d]imidazol-2-yl)-4-(quinuclidin-3-...) Show SMILES O=c1[nH]c2ccccc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |wU:11.11,TLB:10:11:15.14:17.18,(-2.4,-12.59,;-3.74,-11.82,;-5.08,-12.6,;-6.42,-11.83,;-7.76,-12.6,;-9.09,-11.83,;-9.09,-10.28,;-7.76,-9.51,;-6.43,-10.28,;-5.09,-9.49,;-5.1,-7.95,;-6.05,-6.74,;-6.33,-5.35,;-7.68,-4.75,;-9.14,-5.39,;-8.95,-6.77,;-7.42,-6.11,;-7.16,-4.22,;-7.61,-3.11,;-3.75,-10.27,;-2.41,-9.49,;-1.01,-10.12,;.01,-8.98,;1.56,-8.98,;2.33,-7.64,;1.54,-6.3,;0,-6.31,;-.76,-7.64,;-2.26,-7.97,)| Show InChI InChI=1S/C23H23N5O/c29-23-20(22-25-17-7-3-4-8-18(17)26-22)21(15-5-1-2-6-16(15)27-23)24-19-13-28-11-9-14(19)10-12-28/h1-8,14,19H,9-13H2,(H,25,26)(H2,24,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26025 (N-methyl-4-[(2-{methyl[3-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(8-9-27-18)32-15-6-7-19-17(11-15)29-21(30(19)2)28-14-5-3-4-13(10-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26017 (4-({2-[(3-tert-butylphenyl)amino]-1H-1,3-benzodiaz...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)[nH]c3c2)ccn1 Show InChI InChI=1S/C24H25N5O2/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-9-8-17(13-20(19)29-23)31-18-10-11-26-21(14-18)22(30)25-4/h5-14H,1-4H3,(H,25,30)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26029 (4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-b...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-6-8-17(9-7-16)28-24-29-20-14-18(10-11-22(20)30(24)5)32-19-12-13-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26026 (N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]a...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-26-20(31)18-12-16(9-10-27-18)32-15-7-8-19-17(11-15)29-21(30(19)2)28-14-5-3-13(4-6-14)22(23,24)25/h3-12H,1-2H3,(H,26,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26021 (4-({2-[(2-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4Br)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-14(9-10-24-18)29-13-7-8-19-17(11-13)26-21(27(19)2)25-16-6-4-3-5-15(16)22/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26032 (N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amin...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)-c4ccncc4)nc3c2)ccn1 Show InChI InChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26016 (N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(8-9-26-18)31-14-6-7-16-17(10-14)29-20(28-16)27-13-4-2-12(3-5-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26037 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12 Show InChI InChI=1S/C22H20BrN5O3/c1-28-20-7-6-16(31-17-8-9-24-19(13-17)21(30)25-10-11-29)12-18(20)27-22(28)26-15-4-2-14(23)3-5-15/h2-9,12-13,29H,10-11H2,1H3,(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26035 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CCNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C22H20BrN5O2/c1-3-24-21(29)19-13-17(10-11-25-19)30-16-8-9-20-18(12-16)27-22(28(20)2)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26032 (N-methyl-4-[(2-{methyl[3-(pyridin-4-yl)phenyl]amin...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)-c4ccncc4)nc3c2)ccn1 Show InChI InChI=1S/C26H22N6O2/c1-27-25(33)23-16-21(10-13-29-23)34-20-6-7-24-22(15-20)31-26(32(24)2)30-19-5-3-4-18(14-19)17-8-11-28-12-9-17/h3-16H,1-2H3,(H,27,33)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26035 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CCNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C22H20BrN5O2/c1-3-24-21(29)19-13-17(10-11-25-19)30-16-8-9-20-18(12-16)27-22(28(20)2)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26018 (4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiaz...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(C)(C)C)[nH]c3c2)ccn1 Show InChI InChI=1S/C24H25N5O2/c1-24(2,3)15-5-7-16(8-6-15)27-23-28-19-10-9-17(13-20(19)29-23)31-18-11-12-26-21(14-18)22(30)25-4/h5-14H,1-4H3,(H,25,30)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26020 (4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17ClF3N5O2/c1-27-20(32)18-11-14(7-8-28-18)33-13-4-6-19-17(10-13)30-21(31(19)2)29-12-3-5-16(23)15(9-12)22(24,25)26/h3-11H,1-2H3,(H,27,32)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26036 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)ccc12 Show InChI InChI=1S/C26H27BrN6O3/c1-32-24-7-6-20(16-22(24)31-26(32)30-19-4-2-18(27)3-5-19)36-21-8-9-28-23(17-21)25(34)29-10-11-33-12-14-35-15-13-33/h2-9,16-17H,10-15H2,1H3,(H,29,34)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26033 (4-({2-[(4-bromophenyl)(ethyl)amino]-1H-1,3-benzodi...) Show SMILES CCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NC)ccc12 Show InChI InChI=1S/C22H20BrN5O2/c1-3-28-20-9-8-16(30-17-10-11-25-19(13-17)21(29)24-2)12-18(20)27-22(28)26-15-6-4-14(23)5-7-15/h4-13H,3H2,1-2H3,(H,24,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26013 (4-({2-[(4-bromophenyl)amino]-1H-1,3-benzodiazol-5-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)[nH]c3c2)ccn1 Show InChI InChI=1S/C20H16BrN5O2/c1-22-19(27)18-11-15(8-9-23-18)28-14-6-7-16-17(10-14)26-20(25-16)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,27)(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26016 (N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(8-9-26-18)31-14-6-7-16-17(10-14)29-20(28-16)27-13-4-2-12(3-5-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185223 ((S)-3-(1H-benzo[d]imidazol-2-yl)-5,6-dichloro-4-(q...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1Cl |wU:20.21,TLB:19:20:24.23:26.27,(3.37,-44,;4.71,-44.76,;4.71,-46.31,;6.04,-47.08,;7.37,-46.31,;8.71,-47.08,;10.06,-46.3,;11.39,-47.07,;10.05,-44.75,;11.38,-43.97,;12.78,-44.6,;13.81,-43.46,;15.35,-43.46,;16.12,-42.12,;15.34,-40.78,;13.8,-40.79,;13.04,-42.12,;11.53,-42.45,;8.7,-43.97,;8.69,-42.43,;7.74,-41.22,;7.47,-39.83,;6.12,-39.23,;4.65,-39.87,;4.85,-41.25,;6.38,-40.59,;6.63,-38.7,;6.19,-37.59,;7.37,-44.76,;6.03,-43.99,;6.03,-42.46,)| Show InChI InChI=1S/C23H21Cl2N5O/c24-13-5-6-16-18(20(13)25)21(26-17-11-30-9-7-12(17)8-10-30)19(23(31)29-16)22-27-14-3-1-2-4-15(14)28-22/h1-6,12,17H,7-11H2,(H,27,28)(H2,26,29,31)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26022 (4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(Br)c4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(8-9-24-18)29-15-6-7-19-17(11-15)26-21(27(19)2)25-14-5-3-4-13(22)10-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26017 (4-({2-[(3-tert-butylphenyl)amino]-1H-1,3-benzodiaz...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)[nH]c3c2)ccn1 Show InChI InChI=1S/C24H25N5O2/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-9-8-17(13-20(19)29-23)31-18-10-11-26-21(14-18)22(30)25-4/h5-14H,1-4H3,(H,25,30)(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26031 (4-({2-[(cyclohexylmethyl)(methyl)amino]-1H-1,3-ben...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(NCC4CCCCC4)nc3c2)ccn1 Show InChI InChI=1S/C22H27N5O2/c1-23-21(28)19-13-17(10-11-24-19)29-16-8-9-20-18(12-16)26-22(27(20)2)25-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26020 (4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17ClF3N5O2/c1-27-20(32)18-11-14(7-8-28-18)33-13-4-6-19-17(10-13)30-21(31(19)2)29-12-3-5-16(23)15(9-12)22(24,25)26/h3-11H,1-2H3,(H,27,32)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26036 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)ccc12 Show InChI InChI=1S/C26H27BrN6O3/c1-32-24-7-6-20(16-22(24)31-26(32)30-19-4-2-18(27)3-5-19)36-21-8-9-28-23(17-21)25(34)29-10-11-33-12-14-35-15-13-33/h2-9,16-17H,10-15H2,1H3,(H,29,34)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26013 (4-({2-[(4-bromophenyl)amino]-1H-1,3-benzodiazol-5-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)[nH]c3c2)ccn1 Show InChI InChI=1S/C20H16BrN5O2/c1-22-19(27)18-11-15(8-9-23-18)28-14-6-7-16-17(10-14)26-20(25-16)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,27)(H2,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26021 (4-({2-[(2-bromophenyl)(methyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4Br)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-14(9-10-24-18)29-13-7-8-19-17(11-13)26-21(27(19)2)25-16-6-4-3-5-15(16)22/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26038 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CCCC1CCCCN1NC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C28H31BrN6O2/c1-3-6-21-7-4-5-16-35(21)33-27(36)25-18-23(14-15-30-25)37-22-12-13-26-24(17-22)32-28(34(26)2)31-20-10-8-19(29)9-11-20/h8-15,17-18,21H,3-7,16H2,1-2H3,(H,31,32)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26009 (4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)n(C)c3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-11-16(9-10-24-18)29-15-7-8-17-19(12-15)27(2)21(26-17)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26028 (4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-b...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-25(2,3)16-7-6-8-17(13-16)28-24-29-20-14-18(9-10-22(20)30(24)5)32-19-11-12-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26019 (N-methyl-4-({2-[methyl(phenyl)amino]-1H-1,3-benzod...) Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4)nc3c2)ccn1 Show InChI InChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM26015 (N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(F)(F)F)[nH]c3c2)ccn1 Show InChI InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-15(7-8-26-18)31-14-5-6-16-17(10-14)29-20(28-16)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.8	22
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM26018 (4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiaz...) Show SMILES CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(C)(C)C)[nH]c3c2)ccn1 Show InChI InChI=1S/C24H25N5O2/c1-24(2,3)15-5-7-16(8-6-15)27-23-28-19-10-9-17(13-20(19)29-23)31-18-11-12-26-21(14-18)22(30)25-4/h5-14H,1-4H3,(H,25,30)(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated...				J Med Chem 51: 7049-52 (2008) Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C
					More data for this Ligand-Target Pair

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