Compile Data Set for Download or QSAR

Found 1899 hits with Last Name = 'dipardo' and Initial = 'rm'   

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
Renin (Homo sapiens (Human))	BDBM50025935 (CHEMBL3144404 | {1-[1-(1-{2-[1-(Benzylamino-methyl...) Show SMILES CC(C)C[C@@H](CNCc1ccccc1)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C44H63N5O6/c1-30(2)23-35(29-45-28-34-21-15-10-16-22-34)46-40(51)27-39(50)36(24-31(3)4)47-41(52)37(25-32-17-11-8-12-18-32)48-42(53)38(26-33-19-13-9-14-20-33)49-43(54)55-44(5,6)7/h8-22,30-31,35-39,45,50H,23-29H2,1-7H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of hog kidney renin				J Med Chem 28: 1755-6 (1986) BindingDB Entry DOI: 10.7270/Q2P26X56
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023090 (Boc-Phe-His-Sta-Leu-4-amido-1-benzylpiperidine | C...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C46H68N8O7/c1-30(2)22-36(40(55)26-41(56)50-37(23-31(3)4)42(57)49-34-18-20-54(21-19-34)28-33-16-12-9-13-17-33)51-44(59)39(25-35-27-47-29-48-35)52-43(58)38(24-32-14-10-8-11-15-32)53-45(60)61-46(5,6)7/h8-17,27,29-31,34,36-40,55H,18-26,28H2,1-7H3,(H,47,48)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)/t36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023090 (Boc-Phe-His-Sta-Leu-4-amido-1-benzylpiperidine | C...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C46H68N8O7/c1-30(2)22-36(40(55)26-41(56)50-37(23-31(3)4)42(57)49-34-18-20-54(21-19-34)28-33-16-12-9-13-17-33)51-44(59)39(25-35-27-47-29-48-35)52-43(58)38(24-32-14-10-8-11-15-32)53-45(60)61-46(5,6)7/h8-17,27,29-31,34,36-40,55H,18-26,28H2,1-7H3,(H,47,48)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)/t36?,37-,38-,39-,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, fluorometric assay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50025934 (CHEMBL3144405 | {1-[1-(1-{2-[1-(1-Benzyl-piperidin...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C46H68N8O7/c1-30(2)22-36(40(55)26-41(56)50-37(23-31(3)4)42(57)49-34-18-20-54(21-19-34)28-33-16-12-9-13-17-33)51-44(59)39(25-35-27-47-29-48-35)52-43(58)38(24-32-14-10-8-11-15-32)53-45(60)61-46(5,6)7/h8-17,27,29-31,34,36-40,55H,18-26,28H2,1-7H3,(H,47,48)(H,49,57)(H,50,56)(H,51,59)(H,52,58)(H,53,60)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of human kidney renin				J Med Chem 28: 1755-6 (1986) BindingDB Entry DOI: 10.7270/Q2P26X56
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023094 (Boc-Phe-His-Sta-Leu-erythro-1,2-diphenyl-2-hydroxy...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C(O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C48H65N7O8/c1-30(2)23-36(40(56)27-41(57)51-37(24-31(3)4)46(61)55-42(33-19-13-9-14-20-33)43(58)34-21-15-10-16-22-34)52-45(60)39(26-35-28-49-29-50-35)53-44(59)38(25-32-17-11-8-12-18-32)54-47(62)63-48(5,6)7/h8-22,28-31,36-40,42-43,56,58H,23-27H2,1-7H3,(H,49,50)(H,51,57)(H,52,60)(H,53,59)(H,54,62)(H,55,61)/t36?,37-,38-,39-,40?,42?,43?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of hog kidney renin at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202421 (3,3'-difluoro-4'-((R)-1-{[1-(3,3,3-trifluoro-propi...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C23H21F5N2O4/c1-12(29-21(33)22(8-9-22)30-18(31)11-23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)19(15)20(32)34-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,29,33)(H,30,31)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023094 (Boc-Phe-His-Sta-Leu-erythro-1,2-diphenyl-2-hydroxy...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C(O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C48H65N7O8/c1-30(2)23-36(40(56)27-41(57)51-37(24-31(3)4)46(61)55-42(33-19-13-9-14-20-33)43(58)34-21-15-10-16-22-34)52-45(60)39(26-35-28-49-29-50-35)53-44(59)38(25-32-17-11-8-12-18-32)54-47(62)63-48(5,6)7/h8-22,28-31,36-40,42-43,56,58H,23-27H2,1-7H3,(H,49,50)(H,51,57)(H,52,60)(H,53,59)(H,54,62)(H,55,61)/t36?,37-,38-,39-,40?,42?,43?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371651 (CHEMBL410281) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1cc(Cl)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H18Cl3F3N4O4/c1-10(31-22(35)23(2-3-23)32-21(34)16-7-17(26)33-37-16)19-15(27)4-11(8-30-19)13-5-12(24)6-14(25)20(13)36-9-18(28)29/h4-8,10,18H,2-3,9H2,1H3,(H,31,35)(H,32,34)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50023094 (Boc-Phe-His-Sta-Leu-erythro-1,2-diphenyl-2-hydroxy...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NC(C(O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C48H65N7O8/c1-30(2)23-36(40(56)27-41(57)51-37(24-31(3)4)46(61)55-42(33-19-13-9-14-20-33)43(58)34-21-15-10-16-22-34)52-45(60)39(26-35-28-49-29-50-35)53-44(59)38(25-32-17-11-8-12-18-32)54-47(62)63-48(5,6)7/h8-22,28-31,36-40,42-43,56,58H,23-27H2,1-7H3,(H,49,50)(H,51,57)(H,52,60)(H,53,59)(H,54,62)(H,55,61)/t36?,37-,38-,39-,40?,42?,43?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration				J Med Chem 30: 1853-7 (1987) BindingDB Entry DOI: 10.7270/Q2C24VDZ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371643 (CHEMBL272278) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C22H18Cl2F6N2O3/c1-10(31-19(33)21(4-5-21)32-20(34)22(28,29)30)13-3-2-11(6-16(13)25)14-7-12(23)8-15(24)18(14)35-9-17(26)27/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,31,33)(H,32,34)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371333 (CHEMBL256671) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C19H16Cl2F4N2O4/c1-8(27-17(29)18(2,30)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16(28)31-3/h4-8,30H,1-3H3,(H,27,29)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50265335 (CHEMBL496530 | N-((R)-1-(5-(5-chloro-3-fluoro-2-(2...) Show SMILES C[C@@H](NC(=O)C1(O)CCSC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H19ClF2N6O2S/c1-10(25-19(30)20(31)3-4-32-9-20)17-15(23)5-11(8-24-17)13-6-12(21)7-14(22)16(13)18-26-28-29(2)27-18/h5-8,10,31H,3-4,9H2,1-2H3,(H,25,30)/t10-,20?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371657 (CHEMBL404370) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2cc(OC)no2)c(F)c1 Show InChI InChI=1S/C25H22Cl2FN3O6/c1-12(29-24(34)25(6-7-25)30-22(32)19-11-20(35-2)31-37-19)15-5-4-13(8-18(15)28)16-9-14(26)10-17(27)21(16)23(33)36-3/h4-5,8-12H,6-7H2,1-3H3,(H,29,34)(H,30,32)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371653 (CHEMBL255997) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C23H19Cl2F3N4O4/c1-11(31-22(34)23(3-4-23)32-21(33)17-2-5-30-36-17)19-16(26)6-12(9-29-19)14-7-13(24)8-15(25)20(14)35-10-18(27)28/h2,5-9,11,18H,3-4,10H2,1H3,(H,31,34)(H,32,33)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212094 (3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18Cl2F4N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202429 (CHEMBL414962 | methyl 4'-{(1R)-1-[({1-[(difluoroac...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H20F4N2O4/c1-11(27-21(31)22(8-9-22)28-19(29)18(25)26)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)20(30)32-2/h3-7,10-11,18H,8-9H2,1-2H3,(H,27,31)(H,28,29)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50264836 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES C[C@@H](NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H21ClF4N6O2/c1-11(29-20(34)21(35)3-5-22(26,27)6-4-21)18-16(25)7-12(10-28-18)14-8-13(23)9-15(24)17(14)19-30-32-33(2)31-19/h7-11,35H,3-6H2,1-2H3,(H,29,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371320 (CHEMBL271283) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1Cl)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16Cl2F4N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-12(21)4-9(7-26-15)11-5-10(20)6-13(22)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202412 (3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212094 (3,5-dichloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-triflu...) Show SMILES COC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18Cl2F4N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-16(13)25)14-8-12(23)9-15(24)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50102245 (4-(2-Chloro-phenyl)-1-[3-(2,5-dioxo-3,3-di-p-tolyl...) Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C33H34ClN3O2/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(38)37(31(33)39)19-5-18-36-20-16-32(23-35,17-21-36)28-6-3-4-7-29(28)34/h3-4,6-15H,5,16-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50265334 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES C[C@@H](NC(=O)C1(O)CCCC1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C21H21ClF2N6O2/c1-11(26-20(31)21(32)5-3-4-6-21)18-16(24)7-12(10-25-18)14-8-13(22)9-15(23)17(14)19-27-29-30(2)28-19/h7-11,32H,3-6H2,1-2H3,(H,26,31)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371644 (CHEMBL404484) Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11(31-23(35)24(3-4-24)32-22(34)17-8-19(36-2)33-38-17)20-16(27)5-12(9-30-20)14-6-13(25)7-15(26)21(14)37-10-18(28)29/h5-9,11,18H,3-4,10H2,1-2H3,(H,31,35)(H,32,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50229295 ((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50071685 ((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...) Show SMILES CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1 Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay				Bioorg Med Chem Lett 8: 2495-500 (1999) BindingDB Entry DOI: 10.7270/Q2J38T2G
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202409 (CHEMBL218605 | N-{(1R)-1-[3,3'-difluoro-2'-(3-meth...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1-c1nc(C)no1 |r| Show InChI InChI=1S/C23H19F5N4O3/c1-11(29-20(33)22(8-9-22)31-21(34)23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)18(15)19-30-12(2)32-35-19/h3-7,10-11H,8-9H2,1-2H3,(H,29,33)(H,31,34)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202422 (CHEMBL424919 | methyl 4'-{[({1-[(dichloroacetyl)am...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(Cl)Cl)c(F)c1 Show InChI InChI=1S/C21H18Cl2F2N2O4/c1-31-19(29)16-13(3-2-4-14(16)24)11-5-6-12(15(25)9-11)10-26-20(30)21(7-8-21)27-18(28)17(22)23/h2-6,9,17H,7-8,10H2,1H3,(H,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202418 (CHEMBL374580 | methyl 3,3'-difluoro-4'-{(1R)-1-[({...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19F5N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371332 (CHEMBL258324) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C19H16ClF5N6O2/c1-8(27-17(32)18(2,33)19(23,24)25)15-13(22)4-9(7-26-15)11-5-10(20)6-12(21)14(11)16-28-30-31(3)29-16/h4-8,33H,1-3H3,(H,27,32)/t8-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50326709 ((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				J Med Chem 46: 1803-6 (2003) Article DOI: 10.1021/jm034020y BindingDB Entry DOI: 10.7270/Q29P32C6
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202416 (CHEMBL220657 | N-{(1R)-1-[3,3'-difluoro-2'-(2-meth...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H19F5N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371658 (CHEMBL270173) Show SMILES CCOc1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)c2ccno2)c(F)c1 Show InChI InChI=1S/C23H21Cl2FN4O4/c1-3-33-20-15(9-14(24)10-16(20)25)13-8-17(26)19(27-11-13)12(2)29-22(32)23(5-6-23)30-21(31)18-4-7-28-34-18/h4,7-12H,3,5-6H2,1-2H3,(H,29,32)(H,30,31)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50229295 ((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2...) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202425 (CHEMBL426561 | N-{(1R)-1-[3'-chloro-3-fluoro-2'-(2...) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cccc(Cl)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C22H19ClF4N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371321 (CHEMBL258326) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50264722 (CHEMBL484881 | N-((R)-1-(5-(5-chloro-3-fluoro-2-(2...) Show SMILES C[C@@H](NC(=O)C1(O)CCC(=O)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C21H19ClF2N6O3/c1-10(26-20(32)21(33)4-3-13(31)8-21)18-16(24)5-11(9-25-18)14-6-12(22)7-15(23)17(14)19-27-29-30(2)28-19/h5-7,9-10,33H,3-4,8H2,1-2H3,(H,26,32)/t10-,21?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212090 (5-chloro-3,3'-difluoro-4'-((R)-1-{[1-(2,2,2-triflu...) Show SMILES COC(=O)c1c(F)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18ClF5N2O4/c1-10(29-19(32)21(5-6-21)30-20(33)22(26,27)28)13-4-3-11(7-15(13)24)14-8-12(23)9-16(25)17(14)18(31)34-2/h3-4,7-10H,5-6H2,1-2H3,(H,29,32)(H,30,33)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50264721 (3-Hydroxy-1,1-dioxo-tetrahydro-1lambda*6*-thiophen...) Show SMILES C[C@@H](NC(=O)C1(O)CCS(=O)(=O)C1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H19ClF2N6O4S/c1-10(25-19(30)20(31)3-4-34(32,33)9-20)17-15(23)5-11(8-24-17)13-6-12(21)7-14(22)16(13)18-26-28-29(2)27-18/h5-8,10,31H,3-4,9H2,1-2H3,(H,25,30)/t10-,20?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50212102 (CHEMBL392551 | methyl 2-chloro-6-(5-fluoro-6-((R)-...) Show SMILES COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C21H18ClF4N3O4/c1-10(28-18(31)20(6-7-20)29-19(32)21(24,25)26)16-14(23)8-11(9-27-16)12-4-3-5-13(22)15(12)17(30)33-2/h3-5,8-10H,6-7H2,1-2H3,(H,28,31)(H,29,32)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 17: 3608-12 (2007) Article DOI: 10.1016/j.bmcl.2007.04.040 BindingDB Entry DOI: 10.7270/Q2765F1K
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371322 (CHEMBL257729) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nc(C)no1 Show InChI InChI=1S/C20H16Cl2F4N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)30-33-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradikinin B1 receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 716-20 (2008) Article DOI: 10.1016/j.bmcl.2007.11.050 BindingDB Entry DOI: 10.7270/Q2GM8849
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50265333 ((R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-(hydroxyme...) Show SMILES C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(CO)n1 |r| Show InChI InChI=1S/C20H16ClF5N4O4/c1-8(28-18(32)19(2,33)20(24,25)26)16-13(23)3-9(6-27-16)11-4-10(21)5-12(22)15(11)17-29-14(7-31)34-30-17/h3-6,8,31,33H,7H2,1-2H3,(H,28,32)/t8-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting				Bioorg Med Chem Lett 18: 5107-10 (2008) Article DOI: 10.1016/j.bmcl.2008.07.126 BindingDB Entry DOI: 10.7270/Q2GX4BCV
					More data for this Ligand-Target Pair
Cholecystokinin (RAT)	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 83: 4918-22 (1986) Article DOI: 10.1073/pnas.83.13.4918 BindingDB Entry DOI: 10.7270/Q2445K05
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202431 (CHEMBL220371 | methyl 4'-((1R)-1-{[(1-{[chloro(dif...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)Cl)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(23,26)27)13-7-6-12(10-16(13)25)14-4-3-5-15(24)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202426 (3,3'-difluoro-4'-({[1-(3,3,3-trifluoro-propionylam...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H19F5N2O4/c1-33-19(31)18-14(3-2-4-15(18)23)12-5-6-13(16(24)9-12)11-28-20(32)21(7-8-21)29-17(30)10-22(25,26)27/h2-6,9H,7-8,10-11H2,1H3,(H,28,32)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against oxytocin receptor in rat uterus				J Med Chem 33: 2321-3 (1990) BindingDB Entry DOI: 10.7270/Q2F76D60
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371650 (CHEMBL404683) Show SMILES CCOc1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21ClF4N2O3/c1-3-32-18-15(5-4-6-16(18)23)13-7-8-14(17(24)11-13)12(2)28-19(30)21(9-10-21)29-20(31)22(25,26)27/h4-8,11-12H,3,9-10H2,1-2H3,(H,28,30)(H,29,31)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50371647 (CHEMBL404705) Show SMILES C[C@@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OC(CF)CF Show InChI InChI=1S/C23H20Cl2F6N2O3/c1-11(32-20(34)22(4-5-22)33-21(35)23(29,30)31)15-3-2-12(6-18(15)28)16-7-13(24)8-17(25)19(16)36-14(9-26)10-27/h2-3,6-8,11,14H,4-5,9-10H2,1H3,(H,32,34)(H,33,35)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in rat CNS				Bioorg Med Chem Lett 18: 682-7 (2008) BindingDB Entry DOI: 10.7270/Q29024NB
					More data for this Ligand-Target Pair
B1 bradykinin receptor (RAT)	BDBM50326709 ((R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-b...) Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition against rat Bradykinin receptor B1				J Med Chem 46: 1803-6 (2003) Article DOI: 10.1021/jm034020y BindingDB Entry DOI: 10.7270/Q29P32C6
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50202427 (CHEMBL221288 | methyl 4'-[(1R)-1-({[1-(acetylamino...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(C)=O)c(F)c1 |r| Show InChI InChI=1S/C22H22F2N2O4/c1-12(25-21(29)22(9-10-22)26-13(2)27)15-8-7-14(11-18(15)24)16-5-4-6-17(23)19(16)20(28)30-3/h4-8,11-12H,9-10H2,1-3H3,(H,25,29)(H,26,27)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair

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