Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'van der heijden' and Initial = 'r'   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by microplate assay				J Nat Prod 63: 803-6 (2000) BindingDB Entry DOI: 10.7270/Q29886RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50269180 (CHEMBL497276 | ungiminorine) Show SMILES CO[C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(CC=C3[C@H]1O)Cc1cc3OCOc3cc21 |r,c:9| Show InChI InChI=1S/C17H19NO5/c1-21-17-15(19)9-2-3-18-6-8-4-11-12(23-7-22-11)5-10(8)13(14(9)18)16(17)20/h2,4-5,13-17,19-20H,3,6-7H2,1H3/t13-,14+,15+,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by microplate assay				J Nat Prod 63: 803-6 (2000) BindingDB Entry DOI: 10.7270/Q29886RJ
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM30185 (CHEMBL226403 | Pyrrolopyridine, 16) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)	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 MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344749 (1-(2-aminoethyl)-3-(2-(quinolin-3-yl)pyridin-4-yl)...) Show SMILES NCCn1nc(cc1C(O)=O)-c1ccnc(c1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C20H17N5O2/c21-6-8-25-19(20(26)27)11-18(24-25)14-5-7-22-17(10-14)15-9-13-3-1-2-4-16(13)23-12-15/h1-5,7,9-12H,6,8,21H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344750 (2'-(2-(quinolin-3-yl)pyrimidin-4-yl)-5',6'-dihydro...) Show SMILES O=C1NCC2(CCCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H21N5O/c30-23-17-12-20(28-21(17)24(14-27-23)8-3-4-9-24)19-7-10-25-22(29-19)16-11-15-5-1-2-6-18(15)26-13-16/h1-2,5-7,10-13,28H,3-4,8-9,14H2,(H,27,30)	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	n/a	n/a	234	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344724 (2'-(2-(quinolin-3-yl)pyrimidin-4-yl)-5',6'-dihydro...) Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)	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	n/a	n/a	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)	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	n/a	n/a	4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)	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	n/a	n/a	620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 in human THP1 cells assessed as Hsp27 phosphorylation				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344751 (7-(aminomethyl)-2-(2-(quinolin-3-yl)pyridin-4-yl)-...) Show SMILES NCC1CNC(=O)c2cc(nn12)-c1ccnc(c1)-c1cnc2ccccc2c1 Show InChI InChI=1S/C21H18N6O/c22-10-16-12-25-21(28)20-9-19(26-27(16)20)14-5-6-23-18(8-14)15-7-13-3-1-2-4-17(13)24-11-15/h1-9,11,16H,10,12,22H2,(H,25,28)	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	n/a	n/a	151	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 21: 3818-22 (2011) Article DOI: 10.1016/j.bmcl.2011.04.018 BindingDB Entry DOI: 10.7270/Q26973W4
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360547 (CHEMBL1933164) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H25N5O2/c33-25(20-6-5-17-3-1-2-4-18(17)13-20)32-23-14-19(7-10-29-23)22-15-21-24(31-22)27(16-30-26(21)34)8-11-28-12-9-27/h1-7,10,13-15,28,31H,8-9,11-12,16H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	280	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360548 (CHEMBL1933162) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O Show InChI InChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31)	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	n/a	n/a	350	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50344696 (2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...) Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)	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	n/a	n/a	620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360549 (CHEMBL1933193) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)	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	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360550 (CHEMBL1933192) Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)	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	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360551 (CHEMBL1933191) Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29)	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	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360552 (CHEMBL1933190) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-13(2-4-15)20(29)28-18-9-14(5-7-25-18)17-10-16-19(27-17)22(6-8-24-11-22)12-26-21(16)30/h1-5,7,9-10,24,27H,6,8,11-12H2,(H,26,30)(H,25,28,29)	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	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360553 (CHEMBL1933189) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)	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	n/a	n/a	0.620	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360554 (CHEMBL1933188) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)	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	n/a	n/a	0.710	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360555 (CHEMBL1933187) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360556 (CHEMBL1933186) Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H21F2N5O2/c24-15-6-14(7-16(25)9-15)21(31)30-19-8-13(2-5-27-19)18-10-17-20(29-18)23(12-28-22(17)32)3-1-4-26-11-23/h2,5-10,26,29H,1,3-4,11-12H2,(H,28,32)(H,27,30,31)	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	n/a	n/a	2.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360557 (CHEMBL1933185) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C22H22N6O2/c29-20-15-11-17(27-19(15)22(13-26-20)6-3-7-23-12-22)14-5-9-25-18(10-14)28-21(30)16-4-1-2-8-24-16/h1-2,4-5,8-11,23,27H,3,6-7,12-13H2,(H,26,29)(H,25,28,30)	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	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360558 (CHEMBL1933184) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-2-14(3-5-16)21(33)32-19-10-15(6-9-29-19)18-11-17-20(31-18)23(13-30-22(17)34)7-1-8-28-12-23/h2-6,9-11,28,31H,1,7-8,12-13H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360559 (CHEMBL1933183) Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)35-16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	11	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360560 (CHEMBL1933182) Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-1-3-15(9-16)21(30)29-19-10-14(5-8-26-19)18-11-17-20(28-18)23(13-27-22(17)31)6-2-7-25-12-23/h1,3-5,8-11,25,28H,2,6-7,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	6.20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	31	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	31	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	2.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360562 (CHEMBL1933180) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1cccc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c33-25-21-14-22(31-24(21)27(16-30-25)10-4-11-28-15-27)18-9-12-29-23(13-18)32-26(34)20-8-3-6-17-5-1-2-7-19(17)20/h1-3,5-9,12-14,28,31H,4,10-11,15-16H2,(H,30,33)(H,29,32,34)	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	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360563 (CHEMBL1933179) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H25N5O2/c33-25(20-7-6-17-4-1-2-5-18(17)12-20)32-23-13-19(8-11-29-23)22-14-21-24(31-22)27(16-30-26(21)34)9-3-10-28-15-27/h1-2,4-8,11-14,28,31H,3,9-10,15-16H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	129	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360549 (CHEMBL1933193) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)	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	n/a	n/a	660	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360550 (CHEMBL1933192) Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)	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	n/a	n/a	400	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360551 (CHEMBL1933191) Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29)	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	n/a	n/a	480	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360552 (CHEMBL1933190) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-13(2-4-15)20(29)28-18-9-14(5-7-25-18)17-10-16-19(27-17)22(6-8-24-11-22)12-26-21(16)30/h1-5,7,9-10,24,27H,6,8,11-12H2,(H,26,30)(H,25,28,29)	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	n/a	n/a	840	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360553 (CHEMBL1933189) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)	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	n/a	n/a	390	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360554 (CHEMBL1933188) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O Show InChI InChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)	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	n/a	n/a	240	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360555 (CHEMBL1933187) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360556 (CHEMBL1933186) Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H21F2N5O2/c24-15-6-14(7-16(25)9-15)21(31)30-19-8-13(2-5-27-19)18-10-17-20(29-18)23(12-28-22(17)32)3-1-4-26-11-23/h2,5-10,26,29H,1,3-4,11-12H2,(H,28,32)(H,27,30,31)	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	n/a	n/a	590	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360557 (CHEMBL1933185) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C22H22N6O2/c29-20-15-11-17(27-19(15)22(13-26-20)6-3-7-23-12-22)14-5-9-25-18(10-14)28-21(30)16-4-1-2-8-24-16/h1-2,4-5,8-11,23,27H,3,6-7,12-13H2,(H,26,29)(H,25,28,30)	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	n/a	n/a	660	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360558 (CHEMBL1933184) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-2-14(3-5-16)21(33)32-19-10-15(6-9-29-19)18-11-17-20(31-18)23(13-30-22(17)34)7-1-8-28-12-23/h2-6,9-11,28,31H,1,7-8,12-13H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360559 (CHEMBL1933183) Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)35-16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	610	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360561 (CHEMBL1933181) Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)	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	n/a	n/a	320	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360562 (CHEMBL1933180) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1cccc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c33-25-21-14-22(31-24(21)27(16-30-25)10-4-11-28-15-27)18-9-12-29-23(13-18)32-26(34)20-8-3-6-17-5-1-2-7-19(17)20/h1-3,5-9,12-14,28,31H,4,10-11,15-16H2,(H,30,33)(H,29,32,34)	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	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360563 (CHEMBL1933179) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H25N5O2/c33-25(20-7-6-17-4-1-2-5-18(17)12-20)32-23-13-19(8-11-29-23)22-14-21-24(31-22)27(16-30-26(21)34)9-3-10-28-15-27/h1-2,4-8,11-14,28,31H,3,9-10,15-16H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	530	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360563 (CHEMBL1933179) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H25N5O2/c33-25(20-7-6-17-4-1-2-5-18(17)12-20)32-23-13-19(8-11-29-23)22-14-21-24(31-22)27(16-30-26(21)34)9-3-10-28-15-27/h1-2,4-8,11-14,28,31H,3,9-10,15-16H2,(H,30,34)(H,29,32,33)	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	n/a	n/a	530	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360564 (CHEMBL1933178) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C25H27N5O2/c1-15-4-5-18(10-16(15)2)23(31)30-21-11-17(6-9-27-21)20-12-19-22(29-20)25(14-28-24(19)32)7-3-8-26-13-25/h4-6,9-12,26,29H,3,7-8,13-14H2,1-2H3,(H,28,32)(H,27,30,31)	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	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360564 (CHEMBL1933178) Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O Show InChI InChI=1S/C25H27N5O2/c1-15-4-5-18(10-16(15)2)23(31)30-21-11-17(6-9-27-21)20-12-19-22(29-20)25(14-28-24(19)32)7-3-8-26-13-25/h4-6,9-12,26,29H,3,7-8,13-14H2,1-2H3,(H,28,32)(H,27,30,31)	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	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360565 (CHEMBL1933177) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1 Show InChI InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360566 (CHEMBL1933176) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C22H22N6O2/c29-20-15-12-17(27-19(15)22(13-26-20)5-9-23-10-6-22)14-4-8-25-18(11-14)28-21(30)16-3-1-2-7-24-16/h1-4,7-8,11-12,23,27H,5-6,9-10,13H2,(H,26,29)(H,25,28,30)	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	n/a	n/a	550	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair

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