Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'james' and Initial = 'mj'   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059171 (CHEMBL3393296) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418818 (CHEMBL1796293) Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1 Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026750 (CHEMBL3354618) Show SMILES Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9| Show InChI InChI=1S/C30H30ClNO4S/c1-18-5-3-6-19(2)28(18)29-27(33)17-22(30(29)34)15-20-7-4-8-21-16-24(11-14-26(20)21)32-37(35,36)25-12-9-23(31)10-13-25/h3-10,12-13,22,24,32-33H,11,14-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026748 (CHEMBL3354616) Show SMILES COc1ccc(cc1)C1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:9| Show InChI InChI=1S/C29H28ClNO5S/c1-36-24-10-5-18(6-11-24)28-27(32)17-21(29(28)33)15-19-3-2-4-20-16-23(9-14-26(19)20)31-37(34,35)25-12-7-22(30)8-13-25/h2-8,10-13,21,23,31-32H,9,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50058027 (CHEMBL29374) Show SMILES OC(=O)CCc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 4171-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.047 BindingDB Entry DOI: 10.7270/Q2QF8VJ5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026760 (CHEMBL3354614) Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 |t:1| Show InChI InChI=1S/C28H26ClNO4S/c29-22-9-12-24(13-10-22)35(33,34)30-23-11-14-25-19(7-4-8-20(25)16-23)15-21-17-26(31)27(28(21)32)18-5-2-1-3-6-18/h1-10,12-13,21,23,30-31H,11,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026761 (CHEMBL3354615) Show SMILES OC1=C(C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |t:1| Show InChI InChI=1S/C28H25ClFNO4S/c29-21-6-11-24(12-7-21)36(34,35)31-23-10-13-25-18(2-1-3-19(25)15-23)14-20-16-26(32)27(28(20)33)17-4-8-22(30)9-5-17/h1-9,11-12,20,23,31-32H,10,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026758 (CHEMBL3335473) Show SMILES OC(=O)Cc1cccc2CC(CCc12)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H18ClNO4S/c19-14-4-7-16(8-5-14)25(23,24)20-15-6-9-17-12(10-15)2-1-3-13(17)11-18(21)22/h1-5,7-8,15,20H,6,9-11H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026759 (CHEMBL3354613) Show SMILES CC1=C(O)CC(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1=O |c:1| Show InChI InChI=1S/C23H24ClNO4S/c1-14-22(26)13-17(23(14)27)11-15-3-2-4-16-12-19(7-10-21(15)16)25-30(28,29)20-8-5-18(24)6-9-20/h2-6,8-9,17,19,25-26H,7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31992 (Dipeptidyl nitrile inhibitor, 25) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31993 (Dipeptidyl nitrile inhibitor, 26) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059175 (CHEMBL3393298) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026753 (S-18886 | Terutroban) Show SMILES Cc1ccc2C[C@@H](CCc2c1CCC(O)=O)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31984 (Dipeptidyl nitrile inhibitor, 17) Show SMILES Cc1ccc2cc(C)cc(C(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)NCC#N)c2c1 |r| Show InChI InChI=1S/C24H22ClN3O2/c1-15-6-7-18-10-16(2)12-21(20(18)11-15)23(29)28-22(24(30)27-9-8-26)14-17-4-3-5-19(25)13-17/h3-7,10-13,22H,9,14H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026751 (CHEMBL3354619) Show SMILES OC1=C(Cc2ccccc2)C(=O)C(Cc2cccc3CC(CCc23)NS(=O)(=O)c2ccc(Cl)cc2)C1 |c:1| Show InChI InChI=1S/C29H28ClNO4S/c30-23-9-12-25(13-10-23)36(34,35)31-24-11-14-26-20(7-4-8-21(26)17-24)16-22-18-28(32)27(29(22)33)15-19-5-2-1-3-6-19/h1-10,12-13,22,24,31-32H,11,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059180 (CHEMBL3393299) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(O)ccc1C Show InChI InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059180 (CHEMBL3393299) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(O)ccc1C Show InChI InChI=1S/C20H21N3O2/c1-3-7-19-17(13-21-23(19)15-8-5-4-6-9-15)20(25)22-18-12-16(24)11-10-14(18)2/h4-6,8-13,24H,3,7H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by EL...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059187 (CHEMBL3393306) Show SMILES CCCc1c(cnn1Cc1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C23H28N4O3S/c1-5-9-22-20(15-24-27(22)16-18-10-7-6-8-11-18)23(28)25-21-14-19(13-12-17(21)2)31(29,30)26(3)4/h6-8,10-15H,5,9,16H2,1-4H3,(H,25,28)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50058026 (CHEMBL3326602) Show SMILES OC1=C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CCC1=O |c:1| Show InChI InChI=1S/C20H20ClNO4S/c21-17-5-7-18(8-6-17)27(25,26)22-11-10-14-2-1-3-15(12-14)13-16-4-9-19(23)20(16)24/h1-3,5-8,12,22,24H,4,9-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 4171-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.047 BindingDB Entry DOI: 10.7270/Q2QF8VJ5
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50026755 (CHEMBL3335482) Show SMILES OC1=C(C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1)c1ccccc1 |t:1| Show InChI InChI=1S/C26H24ClNO4S/c27-22-9-11-23(12-10-22)33(31,32)28-14-13-18-5-4-6-19(15-18)16-21-17-24(29)25(26(21)30)20-7-2-1-3-8-20/h1-12,15,21,28-29H,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monoph...				ACS Med Chem Lett 5: 1015-20 (2014) Article DOI: 10.1021/ml5002085 BindingDB Entry DOI: 10.7270/Q27M09HF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059171 (CHEMBL3393296) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31990 (Dipeptidyl nitrile inhibitor, 23) Show SMILES CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r| Show InChI InChI=1S/C18H20ClN5O2/c1-3-14-11-16(24(2)23-14)18(26)22-15(17(25)21-8-7-20)10-12-5-4-6-13(19)9-12/h4-6,9,11,15H,3,8,10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059188 (CHEMBL3393307) Show SMILES CCCc1c(cnn1CC(C)C)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31991 (Dipeptidyl nitrile inhibitor, 24) Show SMILES CC(C)c1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r| Show InChI InChI=1S/C19H22ClN5O2/c1-12(2)15-11-17(25(3)24-15)19(27)23-16(18(26)22-8-7-21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,16H,8,10H2,1-3H3,(H,22,26)(H,23,27)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31978 (Dipeptidyl nitrile inhibitor, 11) Show SMILES Cc1ccc(C)c(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-6-7-14(2)17(10-13)19(25)24-18(20(26)23-9-8-22)12-15-4-3-5-16(21)11-15/h3-7,10-11,18H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31989 (Dipeptidyl nitrile inhibitor, 22) Show SMILES Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)s1 |r| Show InChI InChI=1S/C18H18ClN3O2S/c1-11-8-15(12(2)25-11)17(23)22-16(18(24)21-7-6-20)10-13-4-3-5-14(19)9-13/h3-5,8-9,16H,7,10H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059172 (CHEMBL3393303) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C(O)=O Show InChI InChI=1S/C21H21N3O3/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21(26)27)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31983 (Dipeptidyl nitrile inhibitor, 16) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccnc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C21H17ClN4O2/c22-15-5-3-4-14(12-15)13-19(21(28)25-11-9-23)26-20(27)17-8-10-24-18-7-2-1-6-16(17)18/h1-8,10,12,19H,11,13H2,(H,25,28)(H,26,27)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059181 (CHEMBL3393297) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(F)ccc1C Show InChI InChI=1S/C20H20FN3O/c1-3-7-19-17(13-22-24(19)16-8-5-4-6-9-16)20(25)23-18-12-15(21)11-10-14(18)2/h4-6,8-13H,3,7H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31970 (Dipeptidyl nitrile inhibitor, 1) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059177 (CHEMBL3393302) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50353640 (CHEMBL65121) Show SMILES OC(=O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H18ClNO4S/c18-15-5-7-16(8-6-15)24(22,23)19-11-10-14-3-1-2-13(12-14)4-9-17(20)21/h1-3,5-8,12,19H,4,9-11H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 4171-5 (2014) Article DOI: 10.1016/j.bmcl.2014.07.047 BindingDB Entry DOI: 10.7270/Q2QF8VJ5
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31988 (Dipeptidyl nitrile inhibitor, 21) Show SMILES Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C17H17ClN4O2S/c1-10-15(25-11(2)21-10)17(24)22-14(16(23)20-7-6-19)9-12-4-3-5-13(18)8-12/h3-5,8,14H,7,9H2,1-2H3,(H,20,23)(H,22,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31992 (Dipeptidyl nitrile inhibitor, 25) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059175 (CHEMBL3393298) Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)C#N Show InChI InChI=1S/C21H20N4O/c1-3-7-20-18(14-23-25(20)17-8-5-4-6-9-17)21(26)24-19-12-16(13-22)11-10-15(19)2/h4-6,8-12,14H,3,7H2,1-2H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge meas...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31970 (Dipeptidyl nitrile inhibitor, 1) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31974 (Dipeptidyl nitrile inhibitor, 7) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18ClN3O2/c1-13-5-7-15(8-6-13)18(24)23-17(19(25)22-10-9-21)12-14-3-2-4-16(20)11-14/h2-8,11,17H,10,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31988 (Dipeptidyl nitrile inhibitor, 21) Show SMILES Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C17H17ClN4O2S/c1-10-15(25-11(2)21-10)17(24)22-14(16(23)20-7-6-19)9-12-4-3-5-13(18)8-12/h3-5,8,14H,7,9H2,1-2H3,(H,20,23)(H,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31975 (Dipeptidyl nitrile inhibitor, 8) Show SMILES Cc1cccc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18ClN3O2/c1-13-4-2-6-15(10-13)18(24)23-17(19(25)22-9-8-21)12-14-5-3-7-16(20)11-14/h2-7,10-11,17H,9,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059186 (CHEMBL3393305) Show SMILES CCCc1c(cnn1-c1cccnc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C21H25N5O3S/c1-5-7-20-18(14-23-26(20)16-8-6-11-22-13-16)21(27)24-19-12-17(10-9-15(19)2)30(28,29)25(3)4/h6,8-14H,5,7H2,1-4H3,(H,24,27)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31979 (Dipeptidyl nitrile inhibitor, 12) Show SMILES Cc1cccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c1C |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-5-3-8-17(14(13)2)19(25)24-18(20(26)23-10-9-22)12-15-6-4-7-16(21)11-15/h3-8,11,18H,10,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31973 (Dipeptidyl nitrile inhibitor, 6) Show SMILES Clc1cccc(C[C@H](NC(=O)C2CCCCCC2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C19H24ClN3O2/c20-16-9-5-6-14(12-16)13-17(19(25)22-11-10-21)23-18(24)15-7-3-1-2-4-8-15/h5-6,9,12,15,17H,1-4,7-8,11,13H2,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50059176 (CHEMBL3393304) Show SMILES CCCc1c(cnn1-c1ccc(Cl)cc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C22H25ClN4O3S/c1-5-6-21-19(14-24-27(21)17-10-8-16(23)9-11-17)22(28)25-20-13-18(12-7-15(20)2)31(29,30)26(3)4/h7-14H,5-6H2,1-4H3,(H,25,28)	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	390	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60...				J Med Chem 58: 278-93 (2015) Article DOI: 10.1021/jm501038s BindingDB Entry DOI: 10.7270/Q269758W
					More data for this Ligand-Target Pair

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