Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'whitehurst' and Initial = 'c'   

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))	BDBM50434486 (CHEMBL2385548) Show SMILES O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C34H28N6O2/c35-18-23-5-7-24(8-6-23)32-17-27-15-26-16-29(39-13-11-36-12-14-39)9-10-31(26)40(34(41)33(27)42-32)21-25-3-1-2-4-30(25)28-19-37-22-38-20-28/h1-10,16-17,19-20,22,36H,11-15,21H2	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434488 (CHEMBL2385549) Show SMILES O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1 Show InChI InChI=1S/C35H29N5O2/c36-18-23-5-7-25(8-6-23)33-17-29-16-28-15-26(24-11-13-37-14-12-24)9-10-32(28)40(35(41)34(29)42-33)21-27-3-1-2-4-31(27)30-19-38-22-39-20-30/h1-10,15,17,19-20,22,24,37H,11-14,16,21H2	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434494 (CHEMBL2385542) Show SMILES COc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C36H31N5O3/c1-43-31-18-29(21-39-22-31)32-5-3-2-4-26(32)23-41-33-11-10-30(40-14-12-38-13-15-40)17-27(33)16-28-19-34(44-35(28)36(41)42)25-8-6-24(20-37)7-9-25/h2-11,17-19,21-22,38H,12-16,23H2,1H3	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434489 (CHEMBL2385547) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cncnc3)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C33H28ClN5O2/c34-27-7-5-22(6-8-27)31-17-25-15-24-16-28(38-13-11-35-12-14-38)9-10-30(24)39(33(40)32(25)41-31)20-23-3-1-2-4-29(23)26-18-36-21-37-19-26/h1-10,16-19,21,35H,11-15,20H2	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434490 (CHEMBL2385546) Show SMILES COc1ccncc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C36H31N5O3/c1-43-33-12-13-39-22-31(33)30-5-3-2-4-26(30)23-41-32-11-10-29(40-16-14-38-15-17-40)19-27(32)18-28-20-34(44-35(28)36(41)42)25-8-6-24(21-37)7-9-25/h2-13,19-20,22,38H,14-18,23H2,1H3	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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434491 (CHEMBL2385545) Show SMILES COc1ncccc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C36H31N5O3/c1-43-35-31(7-4-14-39-35)30-6-3-2-5-26(30)23-41-32-13-12-29(40-17-15-38-16-18-40)20-27(32)19-28-21-33(44-34(28)36(41)42)25-10-8-24(22-37)9-11-25/h2-14,20-21,38H,15-19,23H2,1H3	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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434487 (CHEMBL2385550) Show SMILES FC1(F)c2cc(oc2C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(cc12)C1CCNCC1)-c1ccc(cc1)C#N Show InChI InChI=1S/C35H27F2N5O2/c36-35(37)29-15-25(23-11-13-39-14-12-23)9-10-31(29)42(20-26-3-1-2-4-28(26)27-18-40-21-41-19-27)34(43)33-30(35)16-32(44-33)24-7-5-22(17-38)6-8-24/h1-10,15-16,18-19,21,23,39H,11-14,20H2	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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434504 (CHEMBL2385532) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC=C)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C25H24ClN3O2/c1-2-11-29-22-8-7-21(28-12-9-27-10-13-28)15-18(22)14-19-16-23(31-24(19)25(29)30)17-3-5-20(26)6-4-17/h2-8,15-16,27H,1,9-14H2	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434496 (CHEMBL2385540) Show SMILES Fc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C35H28FN5O2/c36-29-16-28(20-39-21-29)31-4-2-1-3-25(31)22-41-32-10-9-30(40-13-11-38-12-14-40)17-26(32)15-27-18-33(43-34(27)35(41)42)24-7-5-23(19-37)6-8-24/h1-10,16-18,20-21,38H,11-15,22H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434499 (CHEMBL2385537) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)C1CCNCC1 Show InChI InChI=1S/C23H21ClN2O2/c24-19-4-1-15(2-5-19)21-13-18-12-17-11-16(14-7-9-25-10-8-14)3-6-20(17)26-23(27)22(18)28-21/h1-6,11,13-14,25H,7-10,12H2,(H,26,27)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433763 (CHEMBL2381611) Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434495 (CHEMBL2385541) Show SMILES COc1cc(ccn1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C35H31ClN4O3/c1-42-33-21-24(12-13-38-33)30-5-3-2-4-25(30)22-40-31-11-10-29(39-16-14-37-15-17-39)19-26(31)18-27-20-32(43-34(27)35(40)41)23-6-8-28(36)9-7-23/h2-13,19-21,37H,14-18,22H2,1H3	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434492 (CHEMBL2385544) Show SMILES O=C1N(Cc2ccccc2-c2cccnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C35H29N5O2/c36-21-24-7-9-25(10-8-24)33-20-29-18-28-19-30(39-16-14-37-15-17-39)11-12-32(28)40(35(41)34(29)42-33)23-27-4-1-2-6-31(27)26-5-3-13-38-22-26/h1-13,19-20,22,37H,14-18,23H2	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434485 (CHEMBL2385543) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433766 (CHEMBL2381604) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433765 (CHEMBL2381605) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434498 (CHEMBL2385538) Show SMILES O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1 Show InChI InChI=1S/C24H21N3O2/c25-14-15-1-3-17(4-2-15)22-13-20-12-19-11-18(16-7-9-26-10-8-16)5-6-21(19)27-24(28)23(20)29-22/h1-6,11,13,16,26H,7-10,12H2,(H,27,28)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433758 (CHEMBL2381596) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434493 (CHEMBL2385085) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3ccncc3)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C34H29ClN4O2/c35-28-7-5-24(6-8-28)32-21-27-19-26-20-29(38-17-15-37-16-18-38)9-10-31(26)39(34(40)33(27)41-32)22-25-3-1-2-4-30(25)23-11-13-36-14-12-23/h1-14,20-21,37H,15-19,22H2	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434500 (CHEMBL2385536) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3Br)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C29H25BrClN3O2/c30-25-4-2-1-3-20(25)18-34-26-10-9-24(33-13-11-32-12-14-33)16-21(26)15-22-17-27(36-28(22)29(34)35)19-5-7-23(31)8-6-19/h1-10,16-17,32H,11-15,18H2	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433761 (CHEMBL2381601) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434501 (CHEMBL2385535) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccn3)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C28H25ClN4O2/c29-22-6-4-19(5-7-22)26-17-21-15-20-16-24(32-13-11-30-12-14-32)8-9-25(20)33(28(34)27(21)35-26)18-23-3-1-2-10-31-23/h1-10,16-17,30H,11-15,18H2	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434497 (CHEMBL2385539) Show SMILES Fc1cccc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C36H29FN4O2/c37-30-6-3-5-26(19-30)32-7-2-1-4-27(32)23-41-33-13-12-31(40-16-14-39-15-17-40)20-28(33)18-29-21-34(43-35(29)36(41)42)25-10-8-24(22-38)9-11-25/h1-13,19-21,39H,14-18,23H2	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	74	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434505 (CHEMBL2385531) Show SMILES CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C23H22ClN3O2/c1-26-20-7-6-19(27-10-8-25-9-11-27)13-16(20)12-17-14-21(29-22(17)23(26)28)15-2-4-18(24)5-3-15/h2-7,13-14,25H,8-12H2,1H3	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	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380310 (CHEMBL2017619) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccncc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H25ClN4O2/c28-22-3-1-21(2-4-22)25-9-10-26(34-25)27(33)32(19-20-11-13-29-14-12-20)24-7-5-23(6-8-24)31-17-15-30-16-18-31/h1-14,30H,15-19H2	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	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50362170 (CHEMBL1938682) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C22H20ClN3O2/c23-17-3-1-14(2-4-17)20-13-16-11-15-12-18(26-9-7-24-8-10-26)5-6-19(15)25-22(27)21(16)28-20/h1-6,12-13,24H,7-11H2,(H,25,27)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380309 (CHEMBL2017463) Show SMILES Cn1ccnc1CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C26H26ClN5O2/c1-30-15-14-29-25(30)18-32(22-8-6-21(7-9-22)31-16-12-28-13-17-31)26(33)24-11-10-23(34-24)19-2-4-20(27)5-3-19/h2-11,14-15,28H,12-13,16-18H2,1H3	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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434502 (CHEMBL2385534) Show SMILES FC(F)CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1 Show InChI InChI=1S/C24H22ClF2N3O2/c25-18-3-1-15(2-4-18)21-13-17-11-16-12-19(29-9-7-28-8-10-29)5-6-20(16)30(14-22(26)27)24(31)23(17)32-21/h1-6,12-13,22,28H,7-11,14H2	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	107	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50434503 (CHEMBL2385533) Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC3CC3)C(=O)c2o1)N1CCNCC1 Show InChI InChI=1S/C26H26ClN3O2/c27-21-5-3-18(4-6-21)24-15-20-13-19-14-22(29-11-9-28-10-12-29)7-8-23(19)30(16-17-1-2-17)26(31)25(20)32-24/h3-8,14-15,17,28H,1-2,9-13,16H2	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50362106 (CHEMBL1938681) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H25ClN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50362171 (CHEMBL1938683) Show SMILES O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1 Show InChI InChI=1S/C23H20N4O2/c24-14-15-1-3-16(4-2-15)21-13-18-11-17-12-19(27-9-7-25-8-10-27)5-6-20(17)26-23(28)22(18)29-21/h1-6,12-13,25H,7-11H2,(H,26,28)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380305 (CHEMBL2017459) Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380305 (CHEMBL2017459) Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433760 (CHEMBL2381599) Show SMILES NCCCNc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433768 (CHEMBL2381602) Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,1.0,(10.68,-10.98,;12.01,-11.75,;13.35,-10.99,;14.68,-11.75,;14.69,-13.3,;13.35,-14.07,;12.02,-13.29,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.05,-18.44,;23.59,-18.44,;24.35,-17.1,;25.89,-17.09,;23.57,-15.76,;22.03,-15.78,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433769 (CHEMBL2381600) Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)| Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380308 (CHEMBL2017462) Show SMILES CCCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C25H28ClN3O2/c1-2-3-16-29(22-10-8-21(9-11-22)28-17-14-27-15-18-28)25(30)24-13-12-23(31-24)19-4-6-20(26)7-5-19/h4-13,27H,2-3,14-18H2,1H3	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	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380304 (CHEMBL2017458) Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C22H22ClN3O2/c1-25(18-6-8-19(9-7-18)26-14-12-24-13-15-26)22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11,24H,12-15H2,1H3	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...				Bioorg Med Chem Lett 23: 3262-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.109 BindingDB Entry DOI: 10.7270/Q2ZS2XX8
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380304 (CHEMBL2017458) Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C22H22ClN3O2/c1-25(18-6-8-19(9-7-18)26-14-12-24-13-15-26)22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11,24H,12-15H2,1H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433758 (CHEMBL2381596) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/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	650	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380306 (CHEMBL2017460) Show SMILES CCCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O2/c1-2-15-28(21-9-7-20(8-10-21)27-16-13-26-14-17-27)24(29)23-12-11-22(30-23)18-3-5-19(25)6-4-18/h3-12,26H,2,13-17H2,1H3	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	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433759 (CHEMBL2381598) Show SMILES NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433767 (CHEMBL2381603) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)c(Cl)c1 |r,wU:4.7,wD:1.0,(10.68,-10.98,;12.01,-11.75,;12.02,-13.29,;13.35,-14.07,;14.69,-13.3,;14.68,-11.75,;13.35,-10.99,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.03,-15.78,;23.57,-15.76,;24.35,-17.1,;25.89,-17.09,;23.59,-18.44,;24.37,-19.76,;22.05,-18.44,)| Show InChI InChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)/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	820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433763 (CHEMBL2381611) Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/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	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433769 (CHEMBL2381600) Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)| Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433766 (CHEMBL2381604) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/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	910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50433765 (CHEMBL2381605) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/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	910	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433761 (CHEMBL2381601) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50433761 (CHEMBL2381601) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)| Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human CAMK4				Bioorg Med Chem Lett 23: 2863-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.100 BindingDB Entry DOI: 10.7270/Q2Z60QFW
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50380307 (CHEMBL2017461) Show SMILES CC(C)N(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H26ClN3O2/c1-17(2)28(21-9-7-20(8-10-21)27-15-13-26-14-16-27)24(29)23-12-11-22(30-23)18-3-5-19(25)6-4-18/h3-12,17,26H,13-16H2,1-2H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA...				ACS Med Chem Lett 2: 632-637 (2011) Article DOI: 10.1021/ml200113y BindingDB Entry DOI: 10.7270/Q2J967CS
					More data for this Ligand-Target Pair

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