Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'kambe' and Initial = 'm'   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395262 (CHEMBL2163999) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP by Lineweaver-Burke plot analysis				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395284 (CHEMBL2163996) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Cl)c2n1 |r,wU:4.7,wD:1.0,(29.14,-17.97,;27.81,-18.73,;26.47,-17.96,;25.13,-18.72,;25.13,-20.25,;26.47,-21.03,;27.8,-20.27,;23.8,-21.02,;22.47,-20.25,;22.47,-18.71,;21.14,-17.93,;21.14,-16.39,;22.48,-15.62,;22.47,-14.09,;23.8,-13.32,;25.14,-14.09,;26.48,-13.32,;25.14,-15.63,;26.47,-16.41,;23.8,-16.4,;19.81,-18.7,;18.33,-18.22,;17.42,-19.47,;18.33,-20.72,;17.86,-22.19,;19.81,-20.25,;21.14,-21.01,)| Show InChI InChI=1S/C18H19Cl2FN6/c19-13-7-12(5-6-15(13)21)25-17-8-16(24-11-3-1-10(22)2-4-11)26-18-14(20)9-23-27(17)18/h5-11,25H,1-4,22H2,(H,24,26)/t10-,11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395283 (CHEMBL2163995) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(Br)c2n1 |r,wU:4.7,wD:1.0,(44.37,-17.79,;43.03,-18.55,;41.7,-17.78,;40.35,-18.54,;40.35,-20.07,;41.69,-20.85,;43.02,-20.09,;39.02,-20.84,;37.69,-20.07,;37.69,-18.53,;36.36,-17.75,;36.36,-16.21,;37.7,-15.44,;37.69,-13.91,;39.02,-13.14,;40.36,-13.91,;41.7,-13.14,;40.36,-15.45,;41.69,-16.23,;39.02,-16.22,;35.03,-18.52,;33.56,-18.04,;32.65,-19.29,;33.56,-20.55,;33.08,-22.01,;35.03,-20.07,;36.36,-20.83,)| Show InChI InChI=1S/C18H19BrClFN6/c19-13-9-23-27-17(25-12-5-6-15(21)14(20)7-12)8-16(26-18(13)27)24-11-3-1-10(22)2-4-11/h5-11,25H,1-4,22H2,(H,24,26)/t10-,11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395285 (CHEMBL2163997) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(C#N)c2n1 |r,wU:4.7,wD:1.0,(14.04,-16.11,;12.7,-16.87,;11.37,-16.1,;10.03,-16.86,;10.03,-18.39,;11.36,-19.17,;12.69,-18.41,;8.69,-19.16,;7.36,-18.39,;7.36,-16.85,;6.03,-16.07,;6.04,-14.53,;7.37,-13.76,;7.37,-12.23,;8.7,-11.46,;10.04,-12.23,;11.37,-11.46,;10.03,-13.77,;11.36,-14.55,;8.7,-14.54,;4.7,-16.84,;3.23,-16.36,;2.32,-17.61,;3.23,-18.87,;2.76,-20.34,;2.28,-21.8,;4.7,-18.39,;6.03,-19.15,)| Show InChI InChI=1S/C19H19ClFN7/c20-15-7-14(5-6-16(15)21)26-18-8-17(25-13-3-1-12(23)2-4-13)27-19-11(9-22)10-24-28(18)19/h5-8,10,12-13,26H,1-4,23H2,(H,25,27)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395272 (CHEMBL1231206) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccc(C)nc2)C(=O)N1 |r| Show InChI InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Binding affinity to recombinant MAPKAP-K2 using KKKALSRQLSVAA as substrate after 4 mins by surface plasmon resonance spectroscopic analysis				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395267 (CHEMBL2163608) Show SMILES Cc1nc2ccc(Nc3c(C)c(N[C@H]4CCCNC4)nc4ccnn34)cc2s1 |r| Show InChI InChI=1S/C20H23N7S/c1-12-19(24-15-4-3-8-21-11-15)26-18-7-9-22-27(18)20(12)25-14-5-6-16-17(10-14)28-13(2)23-16/h5-7,9-10,15,21,25H,3-4,8,11H2,1-2H3,(H,24,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395262 (CHEMBL2163999) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395269 (CHEMBL2163610) Show SMILES CC(=O)c1ccc(s1)-c1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C24H26N6OS/c1-15-23(27-19-4-3-12-25-14-19)29-22-11-13-26-30(22)24(15)28-18-7-5-17(6-8-18)21-10-9-20(32-21)16(2)31/h5-11,13,19,25,28H,3-4,12,14H2,1-2H3,(H,27,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395268 (CHEMBL2163611) Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc2n(C)ncc2c1 |r| Show InChI InChI=1S/C20H24N8/c1-13-19(24-16-4-3-8-21-12-16)26-18-7-9-22-28(18)20(13)25-15-5-6-17-14(10-15)11-23-27(17)2/h5-7,9-11,16,21,25H,3-4,8,12H2,1-2H3,(H,24,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395275 (CHEMBL2163616) Show SMILES COCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C21H28N6O2/c1-15-20(24-17-4-3-10-22-14-17)26-19-9-11-23-27(19)21(15)25-16-5-7-18(8-6-16)29-13-12-28-2/h5-9,11,17,22,25H,3-4,10,12-14H2,1-2H3,(H,24,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50225787 (2,4-diamino-6,7-dihydroxy-10H-9-oxa-1-aza-anthrace...) Show SMILES Nc1nc2Oc3cc(O)c(O)cc3Cc2c(N)c1C#N Show InChI InChI=1S/C13H10N4O3/c14-4-7-11(15)6-1-5-2-8(18)9(19)3-10(5)20-13(6)17-12(7)16/h2-3,18-19H,1H2,(H4,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395270 (CHEMBL2163609) Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(cc1)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C24H31N7O/c1-16-22(27-20-7-4-13-25-15-20)30-21-12-14-26-31(21)23(16)28-19-10-8-17(9-11-19)24(32)29-18-5-2-3-6-18/h8-12,14,18,20,25,28H,2-7,13,15H2,1H3,(H,27,30)(H,29,32)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395271 (CHEMBL2163612) Show SMILES Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(OCCN2CCOCC2)cc1 |r| Show InChI InChI=1S/C24H33N7O2/c1-18-23(27-20-3-2-9-25-17-20)29-22-8-10-26-31(22)24(18)28-19-4-6-21(7-5-19)33-16-13-30-11-14-32-15-12-30/h4-8,10,20,25,28H,2-3,9,11-17H2,1H3,(H,27,29)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395266 (CHEMBL2163607) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)| Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395303 (CHEMBL2163981) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(27.41,-30.13,;26.07,-30.9,;24.74,-30.13,;23.41,-30.9,;23.4,-32.44,;22.07,-33.2,;20.74,-32.43,;19.4,-33.19,;19.4,-34.73,;20.73,-35.51,;22.06,-34.74,;20.73,-37.05,;22.06,-37.82,;23.4,-37.05,;23.39,-35.52,;24.74,-34.76,;26.07,-35.54,;27.41,-34.77,;26.06,-37.08,;24.73,-37.84,;19.4,-37.81,;18.07,-37.05,;16.6,-37.53,;15.69,-36.28,;16.6,-35.02,;18.07,-35.5,;20.73,-30.89,;22.06,-30.12,)| Show InChI InChI=1S/C21H28N6O/c1-3-28-18-10-8-17(9-11-18)25-21-14(2)20(26-19-12-13-23-27(19)21)24-16-6-4-15(22)5-7-16/h8-13,15-16,25H,3-7,22H2,1-2H3,(H,24,26)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395266 (CHEMBL2163607) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccccc2Cl)n2nccc2n1 |r,wU:4.7,wD:1.0,(49.15,-85.52,;47.81,-86.29,;46.48,-85.51,;45.14,-86.27,;45.14,-87.8,;46.47,-88.59,;47.8,-87.83,;43.8,-88.57,;42.47,-87.8,;42.47,-86.26,;41.14,-85.48,;41.15,-83.94,;39.82,-83.17,;38.49,-83.93,;37.16,-83.17,;37.16,-81.62,;38.5,-80.85,;39.83,-81.63,;41.16,-80.86,;39.81,-86.25,;38.34,-85.77,;37.43,-87.03,;38.34,-88.28,;39.81,-87.8,;41.14,-88.56,)| Show InChI InChI=1S/C18H21ClN6/c19-14-3-1-2-4-15(14)23-18-11-16(24-17-9-10-21-25(17)18)22-13-7-5-12(20)6-8-13/h1-4,9-13,23H,5-8,20H2,(H,22,24)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395282 (CHEMBL2163994) Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:4.3,wD:7.7,(7.52,-28.97,;6.19,-29.74,;6.19,-31.28,;7.52,-32.05,;8.85,-31.28,;8.85,-29.75,;10.2,-28.98,;11.53,-29.76,;12.87,-29,;11.52,-31.3,;10.19,-32.06,;4.86,-32.04,;3.53,-31.28,;2.06,-31.75,;1.15,-30.5,;2.06,-29.25,;3.53,-29.73,;4.86,-28.96,;4.86,-27.42,;6.2,-26.65,;6.19,-25.12,;7.52,-24.35,;8.86,-25.12,;10.2,-24.35,;8.86,-26.66,;10.19,-27.44,;7.52,-27.43,)| Show InChI InChI=1S/C19H22ClFN6/c1-11-18(24-13-4-2-12(22)3-5-13)26-17-8-9-23-27(17)19(11)25-14-6-7-16(21)15(20)10-14/h6-10,12-13,25H,2-5,22H2,1H3,(H,24,26)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (docked)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395281 (CHEMBL2163993) Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:5.4,wD:8.8,(24.02,-27.62,;24.01,-29.16,;22.68,-29.93,;22.68,-31.47,;24.01,-32.24,;25.34,-31.47,;25.34,-29.94,;26.68,-29.18,;28.02,-29.95,;29.35,-29.19,;28.01,-31.5,;26.68,-32.26,;21.35,-32.23,;20.02,-31.47,;18.54,-31.95,;17.63,-30.7,;18.54,-29.44,;20.02,-29.92,;21.35,-29.15,;21.35,-27.61,;20.02,-26.84,;20.03,-25.3,;18.7,-24.53,;17.36,-25.3,;16.03,-24.52,;17.36,-26.84,;16.03,-27.61,;18.69,-27.61,)| Show InChI InChI=1S/C20H24ClFN6/c1-2-15-19(25-13-5-3-12(23)4-6-13)27-18-9-10-24-28(18)20(15)26-14-7-8-17(22)16(21)11-14/h7-13,26H,2-6,23H2,1H3,(H,25,27)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395278 (CHEMBL2163984) Show SMILES Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl Show InChI InChI=1S/C17H18ClFN6/c18-13-8-11(3-4-14(13)19)23-17-9-15(22-12-2-1-6-20-10-12)24-16-5-7-21-25(16)17/h3-5,7-9,12,20,23H,1-2,6,10H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395263 (CHEMBL2163604) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395277 (CHEMBL2163624) Show SMILES Cc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H20ClFN6/c1-11-17(23-13-3-2-7-21-10-13)25-16-6-8-22-26(16)18(11)24-12-4-5-15(20)14(19)9-12/h4-6,8-9,13,21,24H,2-3,7,10H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395295 (CHEMBL2163625) Show SMILES CCOc1ccc(Nc2c(C)c(O[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:13.12,wD:16.16,(27.17,-63.47,;25.84,-64.23,;24.51,-63.46,;23.17,-64.23,;23.17,-65.77,;21.83,-66.54,;20.5,-65.76,;19.17,-66.53,;19.17,-68.07,;20.49,-68.85,;21.83,-68.08,;20.49,-70.39,;21.83,-71.16,;23.16,-70.39,;23.15,-68.86,;24.5,-68.09,;25.83,-68.87,;27.17,-68.1,;25.82,-70.41,;24.49,-71.17,;19.17,-71.15,;17.84,-70.39,;16.36,-70.86,;15.45,-69.61,;16.36,-68.36,;17.84,-68.84,;20.5,-64.23,;21.83,-63.46,)| Show InChI InChI=1S/C21H27N5O2/c1-3-27-17-10-6-16(7-11-17)24-20-14(2)21(25-19-12-13-23-26(19)20)28-18-8-4-15(22)5-9-18/h6-7,10-13,15,18,24H,3-5,8-9,22H2,1-2H3/t15-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395280 (CHEMBL2163992) Show SMILES CCCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:6.5,wD:9.9,(41.91,-26.84,;40.57,-27.61,;40.57,-29.15,;39.23,-29.91,;39.23,-31.45,;40.57,-32.23,;41.9,-31.46,;41.9,-29.93,;43.24,-29.16,;44.58,-29.94,;45.91,-29.18,;44.57,-31.48,;43.23,-32.24,;37.91,-32.22,;36.58,-31.45,;35.1,-31.93,;34.19,-30.68,;35.1,-29.43,;36.58,-29.91,;37.91,-29.14,;37.91,-27.6,;36.58,-26.82,;36.59,-25.29,;35.26,-24.51,;33.92,-25.28,;32.59,-24.51,;33.92,-26.83,;32.59,-27.6,;35.25,-27.59,)| Show InChI InChI=1S/C21H26ClFN6/c1-2-3-16-20(26-14-6-4-13(24)5-7-14)28-19-10-11-25-29(19)21(16)27-15-8-9-18(23)17(22)12-15/h8-14,27H,2-7,24H2,1H3,(H,26,28)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395278 (CHEMBL2163984) Show SMILES Fc1ccc(Nc2cc(NC3CCCNC3)nc3ccnn23)cc1Cl Show InChI InChI=1S/C17H18ClFN6/c18-13-8-11(3-4-14(13)19)23-17-9-15(22-12-2-1-6-20-10-12)24-16-5-7-21-25(16)17/h3-5,7-9,12,20,23H,1-2,6,10H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395276 (CHEMBL2163623) Show SMILES CCc1c(NC2CCCNC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H22ClFN6/c1-2-14-18(24-13-4-3-8-22-11-13)26-17-7-9-23-27(17)19(14)25-12-5-6-16(21)15(20)10-12/h5-7,9-10,13,22,25H,2-4,8,11H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395290 (CHEMBL2163618) Show SMILES CCOC(=O)c1ccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)cc1 |r,wU:15.14,wD:18.18,(27.35,-56.27,;28.68,-55.5,;30.01,-56.27,;31.35,-55.5,;31.35,-53.96,;32.68,-56.28,;34.02,-55.51,;35.35,-56.28,;35.34,-57.82,;36.67,-58.59,;36.67,-60.13,;38,-60.91,;39.33,-60.14,;38,-62.45,;39.33,-63.22,;40.66,-62.45,;40.66,-60.92,;42.01,-60.16,;43.34,-60.94,;44.68,-60.17,;43.33,-62.48,;42,-63.24,;36.67,-63.21,;35.34,-62.45,;33.87,-62.93,;32.96,-61.68,;33.87,-60.42,;35.34,-60.9,;34.01,-58.59,;32.68,-57.82,)| Show InChI InChI=1S/C22H28N6O2/c1-3-30-22(29)15-4-8-18(9-5-15)26-21-14(2)20(27-19-12-13-24-28(19)21)25-17-10-6-16(23)7-11-17/h4-5,8-9,12-13,16-17,26H,3,6-7,10-11,23H2,1-2H3,(H,25,27)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395289 (CHEMBL2163617) Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(OCc2ccccc2)cc1 |r,wU:4.3,wD:7.7,(57.76,-62.11,;56.42,-62.88,;56.42,-64.42,;57.75,-65.19,;59.09,-64.42,;59.09,-62.89,;60.43,-62.13,;61.76,-62.9,;63.1,-62.14,;61.75,-64.44,;60.42,-65.21,;55.09,-65.18,;53.76,-64.42,;52.29,-64.9,;51.38,-63.64,;52.29,-62.39,;53.76,-62.87,;55.09,-62.1,;55.1,-60.56,;53.76,-59.79,;53.77,-58.25,;52.44,-57.48,;51.11,-58.24,;49.77,-57.47,;49.78,-55.93,;48.44,-55.16,;48.45,-53.63,;47.12,-52.85,;45.78,-53.62,;45.78,-55.17,;47.12,-55.93,;51.11,-59.79,;52.44,-60.56,)| Show InChI InChI=1S/C26H30N6O/c1-18-25(29-21-9-7-20(27)8-10-21)31-24-15-16-28-32(24)26(18)30-22-11-13-23(14-12-22)33-17-19-5-3-2-4-6-19/h2-6,11-16,20-21,30H,7-10,17,27H2,1H3,(H,29,31)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395263 (CHEMBL2163604) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395262 (CHEMBL2163999) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395288 (CHEMBL2163613) Show SMILES CCOc1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 |r,wU:14.13,wD:17.17,(13.78,-70.54,;15.11,-69.77,;16.45,-70.53,;17.78,-69.76,;17.78,-68.22,;19.12,-67.45,;20.45,-68.22,;20.44,-69.76,;21.77,-70.53,;21.76,-72.07,;23.09,-72.85,;24.43,-72.08,;23.09,-74.39,;24.43,-75.16,;25.76,-74.39,;25.76,-72.86,;27.1,-72.1,;28.44,-72.87,;29.77,-72.11,;28.43,-74.42,;27.09,-75.18,;21.76,-75.15,;20.44,-74.39,;18.96,-74.87,;18.05,-73.62,;18.96,-72.36,;20.44,-72.84,;19.11,-70.53,)| Show InChI InChI=1S/C21H28N6O/c1-3-28-18-6-4-5-17(13-18)25-21-14(2)20(26-19-11-12-23-27(19)21)24-16-9-7-15(22)8-10-16/h4-6,11-13,15-16,25H,3,7-10,22H2,1-2H3,(H,24,26)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395264 (CHEMBL2163605) Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:5.4,wD:8.8,(75.96,-83,;75.95,-84.54,;74.62,-85.31,;74.62,-86.85,;75.95,-87.62,;77.28,-86.85,;77.28,-85.32,;78.63,-84.56,;79.96,-85.34,;81.3,-84.57,;79.95,-86.88,;78.62,-87.64,;73.29,-87.61,;71.96,-86.85,;70.49,-87.33,;69.58,-86.08,;70.49,-84.82,;71.96,-85.3,;73.29,-84.53,;73.29,-82.99,;71.96,-82.22,;70.64,-82.98,;69.3,-82.22,;69.3,-80.67,;70.64,-79.9,;71.97,-80.67,;73.31,-79.91,)| Show InChI InChI=1S/C20H25ClN6/c1-2-15-19(24-14-9-7-13(22)8-10-14)26-18-11-12-23-27(18)20(15)25-17-6-4-3-5-16(17)21/h3-6,11-14,25H,2,7-10,22H2,1H3,(H,24,26)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395279 (CHEMBL2163991) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc2ccnn2c(Nc2ccc(F)c(Cl)c2)c1-c1ccccc1 |r,wU:4.7,wD:1.0,(9.17,-48.98,;9.17,-47.44,;10.51,-46.67,;10.51,-45.12,;9.18,-44.36,;7.84,-45.13,;7.84,-46.67,;9.17,-42.82,;7.84,-42.06,;6.51,-42.82,;5.18,-42.06,;3.71,-42.53,;2.8,-41.28,;3.71,-40.03,;5.18,-40.51,;6.51,-39.74,;6.52,-38.2,;5.19,-37.42,;5.2,-35.89,;3.87,-35.11,;2.53,-35.88,;1.2,-35.11,;2.53,-37.43,;1.2,-38.2,;3.86,-38.19,;7.84,-40.52,;9.18,-39.75,;10.5,-40.53,;11.84,-39.77,;11.84,-38.22,;10.5,-37.45,;9.17,-38.22,)| Show InChI InChI=1S/C24H24ClFN6/c25-19-14-18(10-11-20(19)26)30-24-22(15-4-2-1-3-5-15)23(31-21-12-13-28-32(21)24)29-17-8-6-16(27)7-9-17/h1-5,10-14,16-17,30H,6-9,27H2,(H,29,31)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395265 (CHEMBL2163606) Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:4.3,wD:7.7,(60.32,-84.65,;58.98,-85.42,;58.98,-86.96,;60.31,-87.73,;61.65,-86.96,;61.65,-85.43,;62.99,-84.67,;64.32,-85.44,;65.66,-84.68,;64.31,-86.98,;62.98,-87.75,;57.65,-87.72,;56.32,-86.96,;54.85,-87.44,;53.94,-86.18,;54.85,-84.93,;56.32,-85.41,;57.65,-84.64,;57.65,-83.1,;56.32,-82.33,;55,-83.09,;53.67,-82.32,;53.67,-80.78,;55,-80.01,;56.33,-80.78,;57.67,-80.02,)| Show InChI InChI=1S/C19H23ClN6/c1-12-18(23-14-8-6-13(21)7-9-14)25-17-10-11-22-26(17)19(12)24-16-5-3-2-4-15(16)20/h2-5,10-11,13-14,24H,6-9,21H2,1H3,(H,23,25)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of human CHK2 by radiometric assay				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395287 (CHEMBL2163614) Show SMILES CCOC(=O)c1cccc(Nc2c(C)c(N[C@H]3CC[C@H](N)CC3)nc3ccnn23)c1 |r,wU:16.15,wD:19.19,(32.2,-67.34,;33.54,-68.11,;33.54,-69.65,;34.87,-70.42,;34.87,-71.96,;36.21,-69.65,;36.2,-68.1,;37.54,-67.33,;38.87,-68.1,;38.86,-69.64,;40.19,-70.42,;40.19,-71.96,;41.52,-72.73,;42.86,-71.97,;41.52,-74.27,;42.85,-75.04,;44.19,-74.28,;44.19,-72.75,;45.53,-71.98,;46.86,-72.76,;48.2,-72,;46.85,-74.3,;45.52,-75.06,;40.19,-75.04,;38.86,-74.27,;37.39,-74.75,;36.48,-73.5,;37.39,-72.25,;38.86,-72.72,;37.54,-70.41,)| Show InChI InChI=1S/C22H28N6O2/c1-3-30-22(29)15-5-4-6-18(13-15)26-21-14(2)20(27-19-11-12-24-28(19)21)25-17-9-7-16(23)8-10-17/h4-6,11-13,16-17,26H,3,7-10,23H2,1-2H3,(H,25,27)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395310 (CHEMBL2163989) Show SMILES CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:6.9,wD:3.2,(45.36,-42.11,;44.02,-42.87,;42.69,-42.1,;41.36,-42.86,;40.02,-42.08,;38.68,-42.85,;38.68,-44.38,;40.01,-45.16,;41.35,-44.4,;37.35,-45.14,;36.01,-44.37,;36.01,-42.83,;34.69,-42.06,;34.69,-40.52,;36.02,-39.75,;36.02,-38.22,;37.35,-37.45,;38.69,-38.22,;40.03,-37.45,;38.69,-39.76,;40.02,-40.53,;37.35,-40.53,;33.36,-42.82,;31.88,-42.35,;30.97,-43.6,;31.88,-44.85,;33.36,-44.37,;34.69,-45.14,)| Show InChI InChI=1S/C20H24ClFN6/c1-2-23-13-3-5-14(6-4-13)25-18-12-20(28-19(27-18)9-10-24-28)26-15-7-8-17(22)16(21)11-15/h7-14,23,26H,2-6H2,1H3,(H,25,27)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395280 (CHEMBL2163992) Show SMILES CCCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:6.5,wD:9.9,(41.91,-26.84,;40.57,-27.61,;40.57,-29.15,;39.23,-29.91,;39.23,-31.45,;40.57,-32.23,;41.9,-31.46,;41.9,-29.93,;43.24,-29.16,;44.58,-29.94,;45.91,-29.18,;44.57,-31.48,;43.23,-32.24,;37.91,-32.22,;36.58,-31.45,;35.1,-31.93,;34.19,-30.68,;35.1,-29.43,;36.58,-29.91,;37.91,-29.14,;37.91,-27.6,;36.58,-26.82,;36.59,-25.29,;35.26,-24.51,;33.92,-25.28,;32.59,-24.51,;33.92,-26.83,;32.59,-27.6,;35.25,-27.59,)| Show InChI InChI=1S/C21H26ClFN6/c1-2-3-16-20(26-14-6-4-13(24)5-7-14)28-19-10-11-25-29(19)21(16)27-15-8-9-18(23)17(22)12-15/h8-14,27H,2-7,24H2,1H3,(H,26,28)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395301 (CHEMBL2163979) Show SMILES CCOc1ccc(Nc2c(C)c(NCCN)nc3ccnn23)cc1 Show InChI InChI=1S/C17H22N6O/c1-3-24-14-6-4-13(5-7-14)21-17-12(2)16(19-11-9-18)22-15-8-10-20-23(15)17/h4-8,10,21H,3,9,11,18H2,1-2H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395286 (CHEMBL2163615) Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1cccc(OCc2ccccc2)c1 |r,wU:4.3,wD:7.7,(63.72,-72.02,;62.39,-72.79,;62.39,-74.33,;63.72,-75.1,;65.05,-74.33,;65.05,-72.8,;66.4,-72.04,;67.73,-72.81,;69.07,-72.05,;67.72,-74.35,;66.39,-75.11,;61.06,-75.09,;59.73,-74.33,;58.26,-74.81,;57.35,-73.55,;58.26,-72.3,;59.73,-72.78,;61.06,-72.01,;61.06,-70.47,;59.73,-69.7,;59.74,-68.16,;58.41,-67.39,;57.07,-68.15,;57.07,-69.7,;55.74,-70.47,;54.41,-69.7,;53.07,-70.48,;51.75,-69.7,;50.41,-70.47,;50.41,-72.01,;51.76,-72.78,;53.09,-72.01,;58.4,-70.47,)| Show InChI InChI=1S/C26H30N6O/c1-18-25(29-21-12-10-20(27)11-13-21)31-24-14-15-28-32(24)26(18)30-22-8-5-9-23(16-22)33-17-19-6-3-2-4-7-19/h2-9,14-16,20-21,30H,10-13,17,27H2,1H3,(H,29,31)/t20-,21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395285 (CHEMBL2163997) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2ncc(C#N)c2n1 |r,wU:4.7,wD:1.0,(14.04,-16.11,;12.7,-16.87,;11.37,-16.1,;10.03,-16.86,;10.03,-18.39,;11.36,-19.17,;12.69,-18.41,;8.69,-19.16,;7.36,-18.39,;7.36,-16.85,;6.03,-16.07,;6.04,-14.53,;7.37,-13.76,;7.37,-12.23,;8.7,-11.46,;10.04,-12.23,;11.37,-11.46,;10.03,-13.77,;11.36,-14.55,;8.7,-14.54,;4.7,-16.84,;3.23,-16.36,;2.32,-17.61,;3.23,-18.87,;2.76,-20.34,;2.28,-21.8,;4.7,-18.39,;6.03,-19.15,)| Show InChI InChI=1S/C19H19ClFN7/c20-15-7-14(5-6-16(15)21)26-18-8-17(25-13-3-1-12(23)2-4-13)27-19-11(9-22)10-24-28(18)19/h5-8,10,12-13,26H,1-4,23H2,(H,25,27)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395281 (CHEMBL2163993) Show SMILES CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 |r,wU:5.4,wD:8.8,(24.02,-27.62,;24.01,-29.16,;22.68,-29.93,;22.68,-31.47,;24.01,-32.24,;25.34,-31.47,;25.34,-29.94,;26.68,-29.18,;28.02,-29.95,;29.35,-29.19,;28.01,-31.5,;26.68,-32.26,;21.35,-32.23,;20.02,-31.47,;18.54,-31.95,;17.63,-30.7,;18.54,-29.44,;20.02,-29.92,;21.35,-29.15,;21.35,-27.61,;20.02,-26.84,;20.03,-25.3,;18.7,-24.53,;17.36,-25.3,;16.03,-24.52,;17.36,-26.84,;16.03,-27.61,;18.69,-27.61,)| Show InChI InChI=1S/C20H24ClFN6/c1-2-15-19(25-13-5-3-12(23)4-6-13)27-18-9-10-24-28(18)20(15)26-14-7-8-17(22)16(21)11-14/h7-13,26H,2-6,23H2,1H3,(H,25,27)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395299 (CHEMBL2163353) Show SMILES CCOc1ccc(Nc2c(C)c(NCCCCN)nc3ccnn23)cc1 Show InChI InChI=1S/C19H26N6O/c1-3-26-16-8-6-15(7-9-16)23-19-14(2)18(21-12-5-4-11-20)24-17-10-13-22-25(17)19/h6-10,13,23H,3-5,11-12,20H2,1-2H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50395262 (CHEMBL2163999) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)| Show InChI InChI=1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MEK1				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Mus musculus)	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 in mouse whole blood assessed as inhibition of LPS-induced TNFalpha production by ELISA				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395279 (CHEMBL2163991) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc2ccnn2c(Nc2ccc(F)c(Cl)c2)c1-c1ccccc1 |r,wU:4.7,wD:1.0,(9.17,-48.98,;9.17,-47.44,;10.51,-46.67,;10.51,-45.12,;9.18,-44.36,;7.84,-45.13,;7.84,-46.67,;9.17,-42.82,;7.84,-42.06,;6.51,-42.82,;5.18,-42.06,;3.71,-42.53,;2.8,-41.28,;3.71,-40.03,;5.18,-40.51,;6.51,-39.74,;6.52,-38.2,;5.19,-37.42,;5.2,-35.89,;3.87,-35.11,;2.53,-35.88,;1.2,-35.11,;2.53,-37.43,;1.2,-38.2,;3.86,-38.19,;7.84,-40.52,;9.18,-39.75,;10.5,-40.53,;11.84,-39.77,;11.84,-38.22,;10.5,-37.45,;9.17,-38.22,)| Show InChI InChI=1S/C24H24ClFN6/c25-19-14-18(10-11-20(19)26)30-24-22(15-4-2-1-3-5-15)23(31-21-12-13-28-32(21)24)29-17-8-6-16(27)7-9-17/h1-5,10-14,16-17,30H,6-9,27H2,(H,29,31)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50395265 (CHEMBL2163606) Show SMILES Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl |r,wU:4.3,wD:7.7,(60.32,-84.65,;58.98,-85.42,;58.98,-86.96,;60.31,-87.73,;61.65,-86.96,;61.65,-85.43,;62.99,-84.67,;64.32,-85.44,;65.66,-84.68,;64.31,-86.98,;62.98,-87.75,;57.65,-87.72,;56.32,-86.96,;54.85,-87.44,;53.94,-86.18,;54.85,-84.93,;56.32,-85.41,;57.65,-84.64,;57.65,-83.1,;56.32,-82.33,;55,-83.09,;53.67,-82.32,;53.67,-80.78,;55,-80.01,;56.33,-80.78,;57.67,-80.02,)| Show InChI InChI=1S/C19H23ClN6/c1-12-18(23-14-8-6-13(21)7-9-14)25-17-10-11-22-26(17)19(12)24-16-5-3-2-4-15(16)20/h2-5,10-11,13-14,24H,6-9,21H2,1H3,(H,23,25)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395291 (CHEMBL2163619) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2)n2nccc2n1 |r,wU:4.7,wD:1.0,(26.73,-61.06,;25.39,-61.82,;24.06,-61.05,;22.72,-61.81,;22.72,-63.34,;24.05,-64.12,;25.38,-63.36,;21.39,-64.11,;20.05,-63.34,;20.05,-61.8,;18.72,-61.02,;18.73,-59.48,;17.4,-58.71,;17.4,-57.17,;18.74,-56.41,;18.74,-54.87,;17.41,-54.1,;16.07,-54.87,;16.07,-56.41,;17.39,-61.79,;15.92,-61.31,;15.01,-62.56,;15.92,-63.82,;17.39,-63.34,;18.72,-64.1,)| Show InChI InChI=1S/C19H24N6/c20-15-6-8-16(9-7-15)23-17-12-19(25-18(24-17)10-11-22-25)21-13-14-4-2-1-3-5-14/h1-5,10-12,15-16,21H,6-9,13,20H2,(H,23,24)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50395274 (CHEMBL1235213) Show SMILES CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)nc3ccnn23)cc1 |r| Show InChI InChI=1S/C20H26N6O/c1-3-27-17-8-6-15(7-9-17)24-20-14(2)19(23-16-5-4-11-21-13-16)25-18-10-12-22-26(18)20/h6-10,12,16,21,24H,3-5,11,13H2,1-2H3,(H,23,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teijin Pharma Ltd. Curated by ChEMBL					Assay Description Inhibition of human MAPKAP-K2 in THP1 cells assessed as inhibition of LPS-induced TNFalpha production incubated 1 hr prior to LPS challenge measured ...				J Med Chem 55: 6700-15 (2012) Article DOI: 10.1021/jm300411k BindingDB Entry DOI: 10.7270/Q20K29PX
					More data for this Ligand-Target Pair				3D Structure (crystal)

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