Compile Data Set for Download or QSAR

Found 19 hits of ic50 data for polymerid = 50006847   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50077028 (CHEMBL3416692) Show SMILES CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Scientific Research"Demokritos" Curated by ChEMBL					Assay Description Inhibition of mouse recombinant IRAP using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay				J Med Chem 58: 1524-43 (2015) Article DOI: 10.1021/jm501867s BindingDB Entry DOI: 10.7270/Q2Z321B0
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519940 (CHEMBL4476531) Show SMILES COc1ccc(cc1S(=O)(=O)N(C)c1cc(ccc1N1CCCCC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C21H23F3N2O5S/c1-25(32(29,30)19-12-14(20(27)28)6-9-18(19)31-2)17-13-15(21(22,23)24)7-8-16(17)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519947 (CHEMBL4515471) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccccc1 Show InChI InChI=1S/C20H29N5O2/c1-16(26)24-12-14-25(15-13-24)18(27)20(10-6-3-7-11-20)23-19(21)22-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H3,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519943 (CHEMBL4470719) Show SMILES Cc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C19H28N4O2/c1-15-5-7-16(8-6-15)21-18(20)22-19(9-3-2-4-10-19)17(24)23-11-13-25-14-12-23/h5-8H,2-4,9-14H2,1H3,(H3,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519949 (CHEMBL4458647) Show SMILES OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C19H18ClF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519950 (CHEMBL4578212) Show SMILES OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C19H18BrF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519951 (CHEMBL4439709) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-7-8-17(24-9-2-1-3-10-24)16(12-14)23-29(27,28)15-6-4-5-13(11-15)18(25)26/h4-8,11-12,23H,1-3,9-10H2,(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519952 (CHEMBL4454059) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(ccc1N1CCN(C)CC1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C20H22F3N3O5S/c1-25-7-9-26(10-8-25)16-5-4-14(20(21,22)23)12-15(16)24-32(29,30)18-11-13(19(27)28)3-6-17(18)31-2/h3-6,11-12,24H,7-10H2,1-2H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519955 (CHEMBL4587278) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1)C(O)=O Show InChI InChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519946 (CHEMBL4444617) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H28FN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519954 (CHEMBL4434818) Show SMILES Cc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C25H33N5O/c1-20-10-12-21(13-11-20)27-24(26)28-25(14-6-3-7-15-25)23(31)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h2,4-5,8-13H,3,6-7,14-19H2,1H3,(H3,26,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519941 (CHEMBL4528154) Show SMILES COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F Show InChI InChI=1S/C21H23F3N2O5S/c1-30-18-9-6-14(20(27)31-2)12-19(18)32(28,29)25-16-13-15(21(22,23)24)7-8-17(16)26-10-4-3-5-11-26/h6-9,12-13,25H,3-5,10-11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519942 (CHEMBL4437748) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CC1)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C18H25N5O2/c1-13-3-5-15(6-4-13)20-17(19)21-18(7-8-18)16(25)23-11-9-22(10-12-23)14(2)24/h3-6H,7-12H2,1-2H3,(H3,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519956 (CHEMBL4558482) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccccc1N1CCCCC1)C(O)=O Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-9-14(19(22)23)13-18(17)27(24,25)20-15-7-3-4-8-16(15)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519957 (CHEMBL4586487) Show SMILES CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C20H28ClN5O2/c1-15(27)25-11-13-26(14-12-25)18(28)20(9-3-2-4-10-20)24-19(22)23-17-7-5-16(21)6-8-17/h5-8H,2-4,9-14H2,1H3,(H3,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519959 (CHEMBL4438051) Show SMILES CC(=O)N1CCN(CC1)C(=O)C(C)(C)NC(=N)Nc1ccc(C)cc1 Show InChI InChI=1S/C18H27N5O2/c1-13-5-7-15(8-6-13)20-17(19)21-18(3,4)16(25)23-11-9-22(10-12-23)14(2)24/h5-8H,9-12H2,1-4H3,(H3,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519958 (CHEMBL4516434) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1)C(O)=O Show InChI InChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519945 (CHEMBL4442299) Show SMILES COc1ccc(NC(=N)NC2(CCCCC2)C(=O)N2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C21H31N5O3/c1-16(27)25-12-14-26(15-13-25)19(28)21(10-4-3-5-11-21)24-20(22)23-17-6-8-18(29-2)9-7-17/h6-9H,3-5,10-15H2,1-2H3,(H3,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair
Interleukin-1 receptor antagonist protein (Mus musculus)	BDBM50519948 (CHEMBL1700161) Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)NC(=N)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C17H16F2N4O2S/c18-12-5-6-14(19)16(9-12)26(24,25)23-17(20)21-8-7-11-10-22-15-4-2-1-3-13(11)15/h1-6,9-10,22H,7-8H2,(H3,20,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kansas University Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...				J Med Chem 63: 103-121 (2020) Article DOI: 10.1021/acs.jmedchem.9b00293 BindingDB Entry DOI: 10.7270/Q2DN48D3
					More data for this Ligand-Target Pair