Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 3275   

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 [41-364] (Homo sapiens (Human))	BDBM30300 (indole-based 7-membered lactam, 25a) Show SMILES NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H19N5O2/c20-8-12-9-22-19(26)17-6-13-3-4-14(7-16(13)24(17)11-12)18(25)23-15-2-1-5-21-10-15/h1-7,10,12H,8-9,11,20H2,(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30302 (indole-based 7-membered lactam, 25b) Show SMILES NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H17N5O2S/c18-7-10-8-20-16(24)14-5-11-1-2-12(6-13(11)22(14)9-10)15(23)21-17-19-3-4-25-17/h1-6,10H,7-9,18H2,(H,20,24)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30303 (indole-based 7-membered lactam, 25c) Show SMILES OCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H16N4O3S/c22-9-10-7-19-16(24)14-5-11-1-2-12(6-13(11)21(14)8-10)15(23)20-17-18-3-4-25-17/h1-6,10,22H,7-9H2,(H,19,24)(H,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30279 (indole-based 6-membered lactam, 3b) Show SMILES NCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C16H15N5O2S/c17-7-9-6-11-10-5-8(14(22)21-16-18-3-4-24-16)1-2-12(10)20-13(11)15(23)19-9/h1-5,9,20H,6-7,17H2,(H,19,23)(H,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30288 (indole-based 6-membered lactam, (R)-4b) Show SMILES NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 |r| Show InChI InChI=1S/C16H15N5O2S/c17-7-11-8-21-12-6-10(14(22)20-16-18-3-4-24-16)2-1-9(12)5-13(21)15(23)19-11/h1-6,11H,7-8,17H2,(H,19,23)(H,18,20,22)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30299 (indole-based 7-membered lactam, 23b) Show SMILES O=C(Nc1nccs1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C16H14N4O2S/c21-14(19-16-18-5-7-23-16)11-3-2-10-8-13-15(22)17-4-1-6-20(13)12(10)9-11/h2-3,5,7-9H,1,4,6H2,(H,17,22)(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30281 (indole-based 6-membered lactam, 3e) Show SMILES CNCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C17H17N5O2S/c1-18-8-10-7-12-11-6-9(15(23)22-17-19-4-5-25-17)2-3-13(11)21-14(12)16(24)20-10/h2-6,10,18,21H,7-8H2,1H3,(H,20,24)(H,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30277 (indole-based 6-membered lactam, 3a) Show SMILES NCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 Show InChI InChI=1S/C18H17N5O2/c19-8-12-7-14-13-6-10(17(24)21-11-2-1-5-20-9-11)3-4-15(13)23-16(14)18(25)22-12/h1-6,9,12,23H,7-8,19H2,(H,21,24)(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30298 (indole-based 7-membered lactam, 23a) Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C18H16N4O2/c23-17(21-14-3-1-6-19-11-14)13-5-4-12-9-16-18(24)20-7-2-8-22(16)15(12)10-13/h1,3-6,9-11H,2,7-8H2,(H,20,24)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30307 (indole-based 7-membered lactam, 25h) Show SMILES CN(C)CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H21N5O2S/c1-23(2)10-12-9-21-18(26)16-7-13-3-4-14(8-15(13)24(16)11-12)17(25)22-19-20-5-6-27-19/h3-8,12H,9-11H2,1-2H3,(H,21,26)(H,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30301 (indole-based 7-membered lactam, 25d) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H18N4O2/c1-12-9-21-19(25)17-7-13-4-5-14(8-16(13)23(17)11-12)18(24)22-15-3-2-6-20-10-15/h2-8,10,12H,9,11H2,1H3,(H,21,25)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30284 (indole-based 6-membered lactam, (R)-4a) Show SMILES NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r| Show InChI InChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30304 (indole-based 7-membered lactam, 25e) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C17H16N4O2S/c1-10-8-19-16(23)14-6-11-2-3-12(7-13(11)21(14)9-10)15(22)20-17-18-4-5-24-17/h2-7,10H,8-9H2,1H3,(H,19,23)(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30290 (indole-based 6-membered lactam, 4c) Show SMILES OCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C16H14N4O3S/c21-8-11-7-20-12-6-10(14(22)19-16-17-3-4-24-16)2-1-9(12)5-13(20)15(23)18-11/h1-6,11,21H,7-8H2,(H,18,23)(H,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30306 (indole-based 7-membered lactam, 25g) Show SMILES CCNCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H21N5O2S/c1-2-20-9-12-10-22-18(26)16-7-13-3-4-14(8-15(13)24(16)11-12)17(25)23-19-21-5-6-27-19/h3-8,12,20H,2,9-11H2,1H3,(H,22,26)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30292 (indole-based 6-membered lactam, 4f) Show SMILES CNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C17H17N5O2S/c1-18-8-12-9-22-13-7-11(15(23)21-17-19-4-5-25-17)3-2-10(13)6-14(22)16(24)20-12/h2-7,12,18H,8-9H2,1H3,(H,20,24)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30305 (indole-based 7-membered lactam, 25f) Show SMILES CNCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H19N5O2S/c1-19-8-11-9-21-17(25)15-6-12-2-3-13(7-14(12)23(15)10-11)16(24)22-18-20-4-5-26-18/h2-7,11,19H,8-10H2,1H3,(H,21,25)(H,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30280 (indole-based 6-membered lactam, 3d) Show SMILES OCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C16H14N4O3S/c21-7-9-6-11-10-5-8(14(22)20-16-17-3-4-24-16)1-2-12(10)19-13(11)15(23)18-9/h1-5,9,19,21H,6-7H2,(H,18,23)(H,17,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30287 (indole-based 6-membered lactam, 22) Show SMILES O=C(Nc1nccs1)c1ccc2cc3C(=O)NCCn3c2c1 Show InChI InChI=1S/C15H12N4O2S/c20-13(18-15-17-4-6-22-15)10-2-1-9-7-12-14(21)16-3-5-19(12)11(9)8-10/h1-2,4,6-8H,3,5H2,(H,16,21)(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30286 (indole-based 6-membered lactam, 4d) Show SMILES CC1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 Show InChI InChI=1S/C18H16N4O2/c1-11-10-22-15-8-13(17(23)21-14-3-2-6-19-9-14)5-4-12(15)7-16(22)18(24)20-11/h2-9,11H,10H2,1H3,(H,20,24)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30308 (indole-based 7-membered lactam, 25i) Show SMILES CC(=O)NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1 Show InChI InChI=1S/C19H19N5O3S/c1-11(25)21-8-12-9-22-18(27)16-6-13-2-3-14(7-15(13)24(16)10-12)17(26)23-19-20-4-5-28-19/h2-7,12H,8-10H2,1H3,(H,21,25)(H,22,27)(H,20,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30278 (indole-based 6-membered lactam, 3c) Show SMILES OCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 Show InChI InChI=1S/C18H16N4O3/c23-9-12-7-14-13-6-10(17(24)20-11-2-1-5-19-8-11)3-4-15(13)22-16(14)18(25)21-12/h1-6,8,12,22-23H,7,9H2,(H,20,24)(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30289 (indole-based 6-membered lactam, (S)-4b) Show SMILES NC[C@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 |r| Show InChI InChI=1S/C16H15N5O2S/c17-7-11-8-21-12-6-10(14(22)20-16-18-3-4-24-16)2-1-9(12)5-13(21)15(23)19-11/h1-6,11H,7-8,17H2,(H,19,23)(H,18,20,22)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30283 (indole-based 6-membered lactam, 2) Show SMILES O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1 Show InChI InChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30285 (indole-based 6-membered lactam, (S)-4a) Show SMILES NC[C@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r| Show InChI InChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30276 (indole-based 6-membered lactam, 1) Show SMILES O=C(Nc1cccnc1)c1ccc2[nH]c3c(CCNC3=O)c2c1 Show InChI InChI=1S/C17H14N4O2/c22-16(20-11-2-1-6-18-9-11)10-3-4-14-13(8-10)12-5-7-19-17(23)15(12)21-14/h1-4,6,8-9,21H,5,7H2,(H,19,23)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30293 (indole-based 6-membered lactam, 4g) Show SMILES CCNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C18H19N5O2S/c1-2-19-9-13-10-23-14-8-12(16(24)22-18-20-5-6-26-18)4-3-11(14)7-15(23)17(25)21-13/h3-8,13,19H,2,9-10H2,1H3,(H,21,25)(H,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30291 (indole-based 6-membered lactam, 4e) Show SMILES CC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C16H14N4O2S/c1-9-8-20-12-7-11(14(21)19-16-17-4-5-23-16)3-2-10(12)6-13(20)15(22)18-9/h2-7,9H,8H2,1H3,(H,18,22)(H,17,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30294 (indole-based 6-membered lactam, 4h) Show SMILES CCCNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C19H21N5O2S/c1-2-5-20-10-14-11-24-15-9-13(17(25)23-19-21-6-7-27-19)4-3-12(15)8-16(24)18(26)22-14/h3-4,6-9,14,20H,2,5,10-11H2,1H3,(H,22,26)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30297 (indole-based 6-membered lactam, 4k) Show SMILES CC(=O)NCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C18H17N5O3S/c1-10(24)20-8-13-9-23-14-7-12(16(25)22-18-19-4-5-27-18)3-2-11(14)6-15(23)17(26)21-13/h2-7,13H,8-9H2,1H3,(H,20,24)(H,21,26)(H,19,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30295 (indole-based 6-membered lactam, 4i) Show SMILES CC(C)NCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C19H21N5O2S/c1-11(2)21-9-14-10-24-15-8-13(17(25)23-19-20-5-6-27-19)4-3-12(15)7-16(24)18(26)22-14/h3-8,11,14,21H,9-10H2,1-2H3,(H,22,26)(H,20,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30296 (indole-based 6-membered lactam, 4j) Show SMILES CN(C)CC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C18H19N5O2S/c1-22(2)9-13-10-23-14-8-12(16(24)21-18-19-5-6-26-18)4-3-11(14)7-15(23)17(25)20-13/h3-8,13H,9-10H2,1-2H3,(H,20,25)(H,19,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 [41-364] (Homo sapiens (Human))	BDBM30282 (indole-based 6-membered lactam, 3f) Show SMILES CN(C)CC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 Show InChI InChI=1S/C18H19N5O2S/c1-23(2)9-11-8-13-12-7-10(16(24)22-18-19-5-6-26-18)3-4-14(12)21-15(13)17(25)20-11/h3-7,11,21H,8-9H2,1-2H3,(H,20,25)(H,19,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.6	25
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ...				Bioorg Med Chem Lett 18: 1994-9 (2008) Article DOI: 10.1016/j.bmcl.2008.01.119 BindingDB Entry DOI: 10.7270/Q2ZW1J8V
					More data for this Ligand-Target Pair