Compile Data Set for Download or QSAR

Found 15 hits of ec50 data for polymerid = 759   

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
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503098 (CHEMBL4582324) Show SMILES COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1C Show InChI InChI=1S/C34H38N8O4/c1-21-18-22(10-12-27(21)37-31(43)26-19-35-41-20-24(46-5)11-13-28(26)41)36-32(44)30-25-8-6-7-9-29(25)42(39-30)23-14-16-40(17-15-23)33(45)38-34(2,3)4/h6-13,18-20,23H,14-17H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503102 (CHEMBL4445994) Show SMILES COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccc(F)cc23)cc1Cl Show InChI InChI=1S/C34H32ClFN8O4/c1-34(2,19-37)16-30(45)42-12-10-22(11-13-42)44-29-8-4-20(36)14-24(29)31(41-44)33(47)39-21-5-7-27(26(35)15-21)40-32(46)25-17-38-43-18-23(48-3)6-9-28(25)43/h4-9,14-15,17-18,22H,10-13,16H2,1-3H3,(H,39,47)(H,40,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503095 (CHEMBL4577049) Show SMILES Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12 Show InChI InChI=1S/C33H36N8O3/c1-21-19-22(12-13-26(21)36-30(42)25-20-34-40-16-8-7-10-27(25)40)35-31(43)29-24-9-5-6-11-28(24)41(38-29)23-14-17-39(18-15-23)32(44)37-33(2,3)4/h5-13,16,19-20,23H,14-15,17-18H2,1-4H3,(H,35,43)(H,36,42)(H,37,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503100 (CHEMBL4443654) Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C32H33ClN8O3/c1-32(2,3)37-31(44)39-16-13-21(14-17-39)41-27-10-5-4-8-22(27)28(38-41)30(43)35-20-11-12-25(24(33)18-20)36-29(42)23-19-34-40-15-7-6-9-26(23)40/h4-12,15,18-19,21H,13-14,16-17H2,1-3H3,(H,35,43)(H,36,42)(H,37,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503106 (CHEMBL4537527) Show SMILES COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccc(F)cc23)cc1Cl Show InChI InChI=1S/C33H34ClFN8O4/c1-33(2,3)39-32(46)41-13-11-21(12-14-41)43-28-9-5-19(35)15-23(28)29(40-43)31(45)37-20-6-8-26(25(34)16-20)38-30(44)24-17-36-42-18-22(47-4)7-10-27(24)42/h5-10,15-18,21H,11-14H2,1-4H3,(H,37,45)(H,38,44)(H,39,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503099 (CHEMBL4545269) Show SMILES Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12 Show InChI InChI=1S/C34H34N8O3/c1-22-18-23(11-12-27(22)38-32(44)26-20-36-41-15-7-6-9-28(26)41)37-33(45)31-25-8-4-5-10-29(25)42(39-31)24-13-16-40(17-14-24)30(43)19-34(2,3)21-35/h4-12,15,18,20,24H,13-14,16-17,19H2,1-3H3,(H,37,45)(H,38,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503107 (CHEMBL4437906) Show SMILES CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)c(C)c1C Show InChI InChI=1S/C32H39N7O3/c1-7-21-18-22(12-13-24(21)27-19(2)20(3)29(40)36-35-27)33-30(41)28-25-10-8-9-11-26(25)39(37-28)23-14-16-38(17-15-23)31(42)34-32(4,5)6/h8-13,18,23H,7,14-17H2,1-6H3,(H,33,41)(H,34,42)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503105 (CHEMBL4483095) Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C32H34N8O3/c1-32(2,3)36-31(43)38-18-15-23(16-19-38)40-27-10-5-4-8-24(27)28(37-40)30(42)35-22-13-11-21(12-14-22)34-29(41)25-20-33-39-17-7-6-9-26(25)39/h4-14,17,20,23H,15-16,18-19H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503104 (CHEMBL4591137) Show SMILES CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)cc1C Show InChI InChI=1S/C31H37N7O3/c1-6-20-18-21(11-12-23(20)27-19(2)17-26(39)34-35-27)32-29(40)28-24-9-7-8-10-25(24)38(36-28)22-13-15-37(16-14-22)30(41)33-31(3,4)5/h7-12,17-18,22H,6,13-16H2,1-5H3,(H,32,40)(H,33,41)(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50242740 (CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...) Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of ZAP70 by cellular assay				Proc Natl Acad Sci USA 104: 19936-41 (2007) Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503096 (CHEMBL4588040) Show SMILES CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1cc(C)c(=O)[nH]n1 Show InChI InChI=1S/C31H37N7O3/c1-6-20-18-21(11-12-23(20)25-17-19(2)28(39)35-34-25)32-29(40)27-24-9-7-8-10-26(24)38(36-27)22-13-15-37(16-14-22)30(41)33-31(3,4)5/h7-12,17-18,22H,6,13-16H2,1-5H3,(H,32,40)(H,33,41)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503108 (CHEMBL4518970) Show SMILES Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1Cl Show InChI InChI=1S/C29H32ClN7O3/c1-17-15-24(38)33-34-25(17)20-10-9-18(16-22(20)30)31-27(39)26-21-7-5-6-8-23(21)37(35-26)19-11-13-36(14-12-19)28(40)32-29(2,3)4/h5-10,15-16,19H,11-14H2,1-4H3,(H,31,39)(H,32,40)(H,33,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.05E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503103 (CHEMBL4555519) Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(c(Cl)c2)-c2ccc(=O)[nH]n2)c2ccccc12 Show InChI InChI=1S/C28H30ClN7O3/c1-28(2,3)31-27(39)35-14-12-18(13-15-35)36-23-7-5-4-6-20(23)25(34-36)26(38)30-17-8-9-19(21(29)16-17)22-10-11-24(37)33-32-22/h4-11,16,18H,12-15H2,1-3H3,(H,30,38)(H,31,39)(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503097 (CHEMBL4559531) Show SMILES CC(C)(C)NC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3ccc(=O)[nH]n3)c3ccccc23)C1 Show InChI InChI=1S/C27H28ClN7O3/c1-27(2,3)30-26(38)34-13-16(14-34)15-35-22-7-5-4-6-19(22)24(33-35)25(37)29-17-8-9-18(20(28)12-17)21-10-11-23(36)32-31-21/h4-12,16H,13-15H2,1-3H3,(H,29,37)(H,30,38)(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50503101 (CHEMBL4469360) Show SMILES COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C)c3ccccc23)cc1C Show InChI InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins				ACS Med Chem Lett 10: 1486-1491 (2019) Article DOI: 10.1021/acsmedchemlett.9b00354 BindingDB Entry DOI: 10.7270/Q25142G4
					More data for this Ligand-Target Pair