Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50016167   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50410175 (CHEMBL2113087) Show SMILES COC(=O)c1ccccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC(F)(F)F Show InChI InChI=1S/C25H24F3N3O3/c1-15-12-13-29-23(22(15)31-21(32)14-25(26,27)28)30-16(2)17-8-10-18(11-9-17)19-6-4-5-7-20(19)24(33)34-3/h4-13,16H,14H2,1-3H3,(H,29,30)(H,31,32)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50410176 (CHEMBL2113091) Show SMILES COC(=O)c1ccccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N Show InChI InChI=1S/C25H24N4O3/c1-16-13-15-27-24(23(16)29-22(30)12-14-26)28-17(2)18-8-10-19(11-9-18)20-6-4-5-7-21(20)25(31)32-3/h4-11,13,15,17H,12H2,1-3H3,(H,27,28)(H,29,30)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165832 (4'-{(R)-1-[4-Methyl-3-(3,3,3-trifluoro-propionylam...) Show SMILES CNC(=O)c1ccccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC(F)(F)F Show InChI InChI=1S/C25H25F3N4O2/c1-15-12-13-30-23(22(15)32-21(33)14-25(26,27)28)31-16(2)17-8-10-18(11-9-17)19-6-4-5-7-20(19)24(34)29-3/h4-13,16H,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50410177 (CHEMBL2113085) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C24H22F3N3O3/c1-15-11-12-28-22(21(15)30-20(31)13-24(25,26)27)29-14-16-7-9-17(10-8-16)18-5-3-4-6-19(18)23(32)33-2/h3-12H,13-14H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165831 (4'-{[3-(2-Cyano-acetylamino)-pyridin-2-ylamino]-me...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC#N)cc1 Show InChI InChI=1S/C23H20N4O3/c1-30-23(29)19-6-3-2-5-18(19)17-10-8-16(9-11-17)15-26-22-20(7-4-14-25-22)27-21(28)12-13-24/h2-11,14H,12,15H2,1H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165829 (4'-{[4-Methyl-3-(3,3,3-trifluoro-propionylamino)-p...) Show SMILES CNC(=O)c1ccccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C24H23F3N4O2/c1-15-11-12-29-22(21(15)31-20(32)13-24(25,26)27)30-14-16-7-9-17(10-8-16)18-5-3-4-6-19(18)23(33)28-2/h3-12H,13-14H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165839 (4'-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-yl...) Show SMILES Cc1ccnc(NCc2ccc(cc2)-c2ccccc2C(O)=O)c1NC(=O)CC#N Show InChI InChI=1S/C23H20N4O3/c1-15-11-13-25-22(21(15)27-20(28)10-12-24)26-14-16-6-8-17(9-7-16)18-4-2-3-5-19(18)23(29)30/h2-9,11,13H,10,14H2,1H3,(H,25,26)(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165843 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165837 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES CNC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H21F3N4O2/c1-27-22(32)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-29-21-19(7-4-12-28-21)30-20(31)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,32)(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165841 (4'-{[3-(2-Methanesulfonyl-acetylamino)-pyridin-2-y...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H23N3O5S/c1-31-23(28)19-7-4-3-6-18(19)17-11-9-16(10-12-17)14-25-22-20(8-5-13-24-22)26-21(27)15-32(2,29)30/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165833 (4'-[(3-Butyrylamino-pyridin-2-ylamino)-methyl]-bip...) Show SMILES CCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C24H25N3O3/c1-3-7-22(28)27-21-10-6-15-25-23(21)26-16-17-11-13-18(14-12-17)19-8-4-5-9-20(19)24(29)30-2/h4-6,8-15H,3,7,16H2,1-2H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165836 (4'-[(3-Propionylamino-pyridin-2-ylamino)-methyl]-b...) Show SMILES CCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C23H23N3O3/c1-3-21(27)26-20-9-6-14-24-22(20)25-15-16-10-12-17(13-11-16)18-7-4-5-8-19(18)23(28)29-2/h4-14H,3,15H2,1-2H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157519 (4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-b...) Show SMILES CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165835 (4'-[(3-Isobutyrylamino-pyridin-2-ylamino)-methyl]-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)C(C)C)cc1 Show InChI InChI=1S/C24H25N3O3/c1-16(2)23(28)27-21-9-6-14-25-22(21)26-15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)24(29)30-3/h4-14,16H,15H2,1-3H3,(H,25,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165840 (4'-{[3-(2-Methoxy-acetylamino)-pyridin-2-ylamino]-...) Show SMILES COCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C23H23N3O4/c1-29-15-21(27)26-20-8-5-13-24-22(20)25-14-16-9-11-17(12-10-16)18-6-3-4-7-19(18)23(28)30-2/h3-13H,14-15H2,1-2H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165842 (4'-{[3-(2-Dimethylamino-acetylamino)-pyridin-2-yla...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CN(C)C)cc1 Show InChI InChI=1S/C24H26N4O3/c1-28(2)16-22(29)27-21-9-6-14-25-23(21)26-15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)24(30)31-3/h4-14H,15-16H2,1-3H3,(H,25,26)(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair