Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'locardi' and Initial = 'e'   

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
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293905 ((S)-4-amino-5-(4-(4-(2,4-dichloro-3-((2,4-dimethyl...) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 |r| Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309002 (CHEMBL609157 | N-((5'-chloro-3,3'-difluoro-2'-(2-m...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C23H21ClF2N8O4/c1-4-34(30-22(35)18-10-19(37-3)31-38-18)23(36)27-11-13-6-5-12(7-16(13)25)15-8-14(24)9-17(26)20(15)21-28-32-33(2)29-21/h5-10H,4,11H2,1-3H3,(H,27,36)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309004 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C23H22ClF2N9O4/c1-5-35(31-22(36)17-9-18(38-4)32-39-17)23(37)28-11(2)20-16(26)6-12(10-27-20)14-7-13(24)8-15(25)19(14)21-29-33-34(3)30-21/h6-11H,5H2,1-4H3,(H,28,37)(H,31,36)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309621 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCC(F)(F)CC2)c(F)c1 Show InChI InChI=1S/C21H20ClF4N7O2/c1-32-30-19(29-31-32)18-14(7-12(22)8-16(18)24)11-6-15(23)17(27-9-11)10-28-20(34)33(35)13-2-4-21(25,26)5-3-13/h6-9,13,35H,2-5,10H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309003 (CHEMBL599153 | N-((5-(5-chloro-3-fluoro-2-(2-methy...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C22H20ClF2N9O4/c1-4-34(30-21(35)17-8-18(37-3)31-38-17)22(36)27-10-16-14(24)5-11(9-26-16)13-6-12(23)7-15(25)19(13)20-28-32-33(2)29-20/h5-9H,4,10H2,1-3H3,(H,27,36)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309001 (CHEMBL589820 | N-((5-(5-chloro-3-fluoro-2-(5-methy...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H20ClF2N7O5/c1-4-33(30-22(34)18-8-19(36-3)31-38-18)23(35)28-10-17-15(25)5-12(9-27-17)14-6-13(24)7-16(26)20(14)21-29-11(2)37-32-21/h5-9H,4,10H2,1-3H3,(H,28,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309008 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H18ClF5N8O2/c1-4-34(31-18(35)20(24,25)26)19(36)28-9(2)16-14(23)5-10(8-27-16)12-6-11(21)7-13(22)15(12)17-29-32-33(3)30-17/h5-9H,4H2,1-3H3,(H,28,36)(H,31,35)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C31H24ClF3N4O3/c1-19-6-10-21-4-3-5-27(30(21)38-19)42-18-24-23(16-36)26(14-13-25(24)32)39(2)29(41)17-37-28(40)15-9-20-7-11-22(12-8-20)31(33,34)35/h3-15H,17-18H2,1-2H3,(H,37,40)/b15-9+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from guinea pig B2 receptor				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309015 (CHEMBL597747 | N-(5-chloro-2-((5'-chloro-3,3'-difl...) Show SMILES CC(=O)Nn1c(Cl)cnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C21H16Cl2F2N6O2/c1-10(32)29-31-18(23)9-27-21(31)26-8-13-4-3-12(5-16(13)24)15-6-14(22)7-17(25)19(15)20-28-11(2)33-30-20/h3-7,9H,8H2,1-2H3,(H,26,27)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309000 (CHEMBL589819 | N-((5'-chloro-3,3'-difluoro-2'-(5-m...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C24H21ClF2N6O5/c1-4-33(30-23(34)19-10-20(36-3)31-38-19)24(35)28-11-14-6-5-13(7-17(14)26)16-8-15(25)9-18(27)21(16)22-29-12(2)37-32-22/h5-10H,4,11H2,1-3H3,(H,28,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309006 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-o...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C21H18ClF5N6O3/c1-4-33(31-19(34)21(25,26)27)20(35)29-9(2)17-15(24)5-11(8-28-17)13-6-12(22)7-14(23)16(13)18-30-10(3)36-32-18/h5-9H,4H2,1-3H3,(H,29,35)(H,31,34)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309622 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C(CF)CF)c(F)c1 Show InChI InChI=1S/C18H16ClF4N7O2/c1-29-27-17(26-28-29)16-12(3-10(19)4-14(16)23)9-2-13(22)15(24-7-9)8-25-18(31)30(32)11(5-20)6-21/h2-4,7,11,32H,5-6,8H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293902 (1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H24F3N5O2/c1-17-9-11-32-23(15-36-13-5-7-22(27(36)37)28(29,30)31)21(17)16-38-25-8-4-6-19-20(14-18(2)34-26(19)25)24-10-12-33-35(24)3/h4-14H,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309011 (CHEMBL598349 | N-(4-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nc1nsnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H16ClF2N7O4S/c1-10-28-20(31-36-10)19-14(6-13(24)7-16(19)26)11-3-4-12(15(25)5-11)9-27-21-22(33-38-32-21)29-23(34)17-8-18(35-2)30-37-17/h3-8H,9H2,1-2H3,(H,27,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309007 ((R)-N-(1-(5-(3,5-dichloro-2-(2-methyl-2H-tetrazol-...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H18Cl2F4N8O2/c1-4-34(31-18(35)20(24,25)26)19(36)28-9(2)16-14(23)5-10(8-27-16)12-6-11(21)7-13(22)15(12)17-29-32-33(3)30-17/h5-9H,4H2,1-3H3,(H,28,36)(H,31,35)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293906 ((S)-4-carbamimidoyl-N-(4-(1-(2,4-dichloro-3-((2,4-...) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)CCCNC(=O)c3ccc(cc3)C(N)=N)c2n1 |r| Show InChI InChI=1S/C34H35Cl2N5O5S/c1-20-18-21(2)40-32-24(20)6-3-9-29(32)46-19-25-26(35)14-15-30(31(25)36)47(44,45)41-17-5-7-27(41)28(42)8-4-16-39-34(43)23-12-10-22(11-13-23)33(37)38/h3,6,9-15,18,27H,4-5,7-8,16-17,19H2,1-2H3,(H3,37,38)(H,39,43)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309021 (CHEMBL591676 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nn1c(NCc2ccc(cc2F)-c2cc(Cl)cc(F)c2-c2noc(C)n2)nc2ccccc12 Show InChI InChI=1S/C28H20ClF2N7O4/c1-14-33-26(37-41-14)25-18(10-17(29)11-20(25)31)15-7-8-16(19(30)9-15)13-32-28-34-21-5-3-4-6-22(21)38(28)35-27(39)23-12-24(40-2)36-42-23/h3-12H,13H2,1-2H3,(H,32,34)(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309619 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCCC2)c(F)c1 Show InChI InChI=1S/C20H20ClF2N7O2/c1-29-27-19(26-28-29)18-14(7-12(21)8-16(18)23)11-6-15(22)17(24-9-11)10-25-20(31)30(32)13-4-2-3-5-13/h6-9,13,32H,2-5,10H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309617 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES CC(C)N(O)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C18H18ClF2N7O2/c1-9(2)28(30)18(29)23-8-15-13(20)4-10(7-22-15)12-5-11(19)6-14(21)16(12)17-24-26-27(3)25-17/h4-7,9,30H,8H2,1-3H3,(H,23,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309025 (CHEMBL603668 | N-(4-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nc1nonc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H16ClF2N7O5/c1-10-28-20(31-36-10)19-14(6-13(24)7-16(19)26)11-3-4-12(15(25)5-11)9-27-21-22(33-38-32-21)29-23(34)17-8-18(35-2)30-37-17/h3-8H,9H2,1-2H3,(H,27,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50308997 (CHEMBL591742 | N-((R)-1-(5-((2R,5S)-2,5-dimethylpy...) Show SMILES CCN(NC(=O)c1cc(F)cc(c1)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C |r| Show InChI InChI=1S/C25H28F5N5O3/c1-5-34(33-22(36)16-8-18(25(28,29)30)11-19(26)9-16)24(38)32-15(4)21-20(27)10-17(12-31-21)23(37)35-13(2)6-7-14(35)3/h8-15H,5-7H2,1-4H3,(H,32,38)(H,33,36)/t13-,14+,15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293904 (1-((4-methyl-3-((2-methyl-4-(4-methyl-1H-pyrazol-5...) Show SMILES Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)cccc12 Show InChI InChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309607 ((R)-3-(1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-o...) Show SMILES C[C@@H](NC(=O)N(C)O)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C18H16ClF2N5O3/c1-8(23-18(27)26(3)28)16-14(21)4-10(7-22-16)12-5-11(19)6-13(20)15(12)17-24-9(2)29-25-17/h4-8,28H,1-3H3,(H,23,27)/t8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50308992 (CHEMBL592239 | N-(1-((R)-1-(4-((2R,5S)-2,5-dimethy...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ccc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C |r| Show InChI InChI=1S/C27H28F5N3O3/c1-14-4-5-15(2)35(14)24(37)17-6-7-21(22(29)12-17)16(3)33-25(38)26(8-9-26)34-23(36)18-10-19(27(30,31)32)13-20(28)11-18/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,33,38)(H,34,36)/t14-,15+,16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293903 (1-((3-((4-(5-chlorothiazol-4-yl)-2-methylquinolin-...) Show SMILES Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C27H20ClF3N4O2S/c1-15-8-9-32-21(12-35-10-4-6-20(26(35)36)27(29,30)31)19(15)13-37-22-7-3-5-17-18(11-16(2)34-23(17)22)24-25(28)38-14-33-24/h3-11,14H,12-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309005 (CHEMBL604177 | N-((5-(3,5-dichloro-2-(5-methyl-1,2...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C21H18Cl2F4N6O3/c1-4-33(31-19(34)21(25,26)27)20(35)29-9(2)17-15(24)5-11(8-28-17)13-6-12(22)7-14(23)16(13)18-30-10(3)36-32-18/h5-9H,4H2,1-3H3,(H,29,35)(H,31,34)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293899 (1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(c3=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C27H21ClF3N5O2/c1-16-11-19(23-8-9-33-35(23)2)18-5-3-7-24(25(18)34-16)38-15-20-17(12-32-13-22(20)28)14-36-10-4-6-21(26(36)37)27(29,30)31/h3-13H,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50067301 ((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1Cl Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309618 (1-tert-butyl-3-((5'-chloro-3,3'-difluoro-2'-(2-met...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C(C)(C)C)c(F)c1 Show InChI InChI=1S/C19H20ClF2N7O2/c1-19(2,3)29(31)18(30)24-9-15-13(21)5-10(8-23-15)12-6-11(20)7-14(22)16(12)17-25-27-28(4)26-17/h5-8,31H,9H2,1-4H3,(H,24,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309009 ((R)-N-(1-(5-(3,5-dichloro-2-(2,2-difluoroethoxy)ph...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r| Show InChI InChI=1S/C20H18Cl2F6N4O3/c1-3-32(31-18(33)20(26,27)28)19(34)30-9(2)16-14(23)4-10(7-29-16)12-5-11(21)6-13(22)17(12)35-8-15(24)25/h4-7,9,15H,3,8H2,1-2H3,(H,30,34)(H,31,33)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309014 (CHEMBL597546 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES CC(=O)Nn1ccnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C21H17ClF2N6O2/c1-11(31)28-30-6-5-25-21(30)26-10-14-4-3-13(7-17(14)23)16-8-15(22)9-18(24)19(16)20-27-12(2)32-29-20/h3-9H,10H2,1-2H3,(H,25,26)(H,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309026 (CHEMBL589900 | N-(4-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES CC(=O)Nc1nsnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C20H15ClF2N6O2S/c1-9(30)25-20-19(28-32-29-20)24-8-12-4-3-11(5-15(12)22)14-6-13(21)7-16(23)17(14)18-26-10(2)31-27-18/h3-7H,8H2,1-2H3,(H,24,28)(H,25,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309023 (CHEMBL598147 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nn1ccnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C24H18ClF2N7O4/c1-12-30-22(33-37-12)21-16(8-15(25)9-18(21)27)13-3-4-14(17(26)7-13)11-29-24-28-5-6-34(24)31-23(35)19-10-20(36-2)32-38-19/h3-10H,11H2,1-2H3,(H,28,29)(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293901 (CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1 Show InChI InChI=1S/C29H33N5O2/c1-19-12-14-30-25(17-31-29(35)21-8-5-4-6-9-21)24(19)18-36-27-11-7-10-22-23(16-20(2)33-28(22)27)26-13-15-32-34(26)3/h7,10-16,21H,4-6,8-9,17-18H2,1-3H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309010 ((R)-N-(1-(5-(5-chloro-2-(2,2-difluoroethoxy)-3-flu...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1OCC(F)F |r| Show InChI InChI=1S/C20H18ClF7N4O3/c1-3-32(31-18(33)20(26,27)28)19(34)30-9(2)16-13(22)4-10(7-29-16)12-5-11(21)6-14(23)17(12)35-8-15(24)25/h4-7,9,15H,3,8H2,1-2H3,(H,30,34)(H,31,33)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309609 ((R)-3-(1-(5-(3,5-dichloro-2-(5-methyl-1,2,4-oxadia...) Show SMILES C[C@@H](NC(=O)N(C)O)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C18H16Cl2FN5O3/c1-8(23-18(27)26(3)28)16-14(21)4-10(7-22-16)12-5-11(19)6-13(20)15(12)17-24-9(2)29-25-17/h4-8,28H,1-3H3,(H,23,27)/t8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293890 (CHEMBL550827 | N-{5-chloro-4-[2-methyl-4-(2-methyl...) Show SMILES CC(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C Show InChI InChI=1S/C25H26ClN5O2/c1-15(2)25(32)28-12-17-11-27-13-21(26)20(17)14-33-23-7-5-6-18-19(10-16(3)30-24(18)23)22-8-9-29-31(22)4/h5-11,13,15H,12,14H2,1-4H3,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293891 (3-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES CN(C)C(=O)NCc1cncc(Cl)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C Show InChI InChI=1S/C24H25ClN6O2/c1-15-10-18(21-8-9-28-31(21)4)17-6-5-7-22(23(17)29-15)33-14-19-16(11-26-13-20(19)25)12-27-24(32)30(2)3/h5-11,13H,12,14H2,1-4H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309024 (CHEMBL604999 | N-(3-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nc1cn[nH]c1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C24H18ClF2N7O4/c1-11-30-23(34-37-11)21-15(6-14(25)7-17(21)27)12-3-4-13(16(26)5-12)9-28-22-18(10-29-32-22)31-24(35)19-8-20(36-2)33-38-19/h3-8,10H,9H2,1-2H3,(H,31,35)(H2,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293897 (1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1 Show InChI InChI=1S/C26H22ClN5O2/c1-17-12-20(23-9-10-29-31(23)2)19-6-5-7-24(26(19)30-17)34-16-21-18(13-28-14-22(21)27)15-32-11-4-3-8-25(32)33/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309611 ((R)-3-(1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-o...) Show SMILES C[C@@H](NC(=O)N(C)O)c1ncc(cc1C)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C19H19ClFN5O3/c1-9-5-12(8-22-17(9)10(2)23-19(27)26(4)28)14-6-13(20)7-15(21)16(14)18-24-11(3)29-25-18/h5-8,10,28H,1-4H3,(H,23,27)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293900 (CHEMBL559506 | N-{4-methyl-3-[2-methyl-4-(2-methyl...) Show SMILES CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C Show InChI InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-22-21(17(3)9-11-27-22)15-33-24-8-6-7-19-20(13-18(4)30-25(19)24)23-10-12-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309620 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCCCC2)c(F)c1 Show InChI InChI=1S/C21H22ClF2N7O2/c1-30-28-20(27-29-30)19-15(8-13(22)9-17(19)24)12-7-16(23)18(25-10-12)11-26-21(32)31(33)14-5-3-2-4-6-14/h7-10,14,33H,2-6,11H2,1H3,(H,26,32)	PDB KEGG 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
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293899 (1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(c3=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C27H21ClF3N5O2/c1-16-11-19(23-8-9-33-35(23)2)18-5-3-7-24(25(18)34-16)38-15-20-17(12-32-13-22(20)28)14-36-10-4-6-21(26(36)37)27(29,30)31/h3-13H,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50308998 (CHEMBL602555 | N-((R)-1-(5-((2R,5S)-2,5-dimethylpy...) Show SMILES C[C@@H](NC(=O)N(C)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C |r| Show InChI InChI=1S/C24H26F5N5O3/c1-12-5-6-13(2)34(12)22(36)16-9-19(26)20(30-11-16)14(3)31-23(37)33(4)32-21(35)15-7-17(24(27,28)29)10-18(25)8-15/h7-14H,5-6H2,1-4H3,(H,31,37)(H,32,35)/t12-,13+,14-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309012 (CHEMBL605570 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES CC(=O)Nn1c(NCc2ccc(cc2F)-c2cc(Cl)cc(F)c2-c2noc(C)n2)nc2ccccc12 Show InChI InChI=1S/C25H19ClF2N6O2/c1-13(35)32-34-22-6-4-3-5-21(22)31-25(34)29-12-16-8-7-15(9-19(16)27)18-10-17(26)11-20(28)23(18)24-30-14(2)36-33-24/h3-11H,12H2,1-2H3,(H,29,31)(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309616 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES CCN(O)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C17H16ClF2N7O2/c1-3-27(29)17(28)22-8-14-12(19)4-9(7-21-14)11-5-10(18)6-13(20)15(11)16-23-25-26(2)24-16/h4-7,29H,3,8H2,1-2H3,(H,22,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50308991 (CHEMBL592238 | N-(1-((1R)-1-(4-(2,5-dimethylpyrrol...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ccc(cc1)C(=O)N1C(C)CCC1C |r| Show InChI InChI=1S/C27H29F4N3O3/c1-15-4-5-16(2)34(15)24(36)19-8-6-18(7-9-19)17(3)32-25(37)26(10-11-26)33-23(35)20-12-21(27(29,30)31)14-22(28)13-20/h6-9,12-17H,4-5,10-11H2,1-3H3,(H,32,37)(H,33,35)/t15?,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293897 (1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1 Show InChI InChI=1S/C26H22ClN5O2/c1-17-12-20(23-9-10-29-31(23)2)19-6-5-7-24(26(19)30-17)34-16-21-18(13-28-14-22(21)27)15-32-11-4-3-8-25(32)33/h3-14H,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293900 (CHEMBL559506 | N-{4-methyl-3-[2-methyl-4-(2-methyl...) Show SMILES CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C Show InChI InChI=1S/C26H29N5O2/c1-16(2)26(32)28-14-22-21(17(3)9-11-27-22)15-33-24-8-6-7-19-20(13-18(4)30-25(19)24)23-10-12-29-31(23)5/h6-13,16H,14-15H2,1-5H3,(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair

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