Found 2 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50032158' 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
(Cavia porcellus) | BDBM50032158
(CHEMBL2370243 | CPTA-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCCNCCNCCCNCC2)cc1)c1cccs1)C(O)=O Show InChI InChI=1S/C76H115N23O14S/c77-74(78)86-28-5-16-53(90-64(103)47-23-21-46(22-24-47)41-95-34-11-27-84-32-31-83-25-10-26-85-33-36-95)65(104)91-54(17-6-29-87-75(79)80)69(108)96-35-8-19-57(96)71(110)98-44-51(101)39-58(98)66(105)89-40-61(102)94-62(60-20-9-37-114-60)67(106)93-56(45-100)70(109)97-42-49-13-2-1-12-48(49)38-59(97)72(111)99-43-50-14-3-4-15-52(50)63(99)68(107)92-55(73(112)113)18-7-30-88-76(81)82/h1-2,9,12-13,20-24,37,50-59,62-63,83-85,100-101H,3-8,10-11,14-19,25-36,38-45H2,(H,89,105)(H,90,103)(H,91,104)(H,92,107)(H,93,106)(H,94,102)(H,112,113)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)/t50?,51-,52?,53-,54+,55+,56+,57+,58+,59-,62-,63+/m1/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrale Pharmaforschung
Curated by ChEMBL
| Assay Description In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig ileal membrane receptor assay. |
J Med Chem 38: 2799-801 (1995)
BindingDB Entry DOI: 10.7270/Q2028S70 |
More data for this Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50032158
(CHEMBL2370243 | CPTA-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCCNCCNCCCNCC2)cc1)c1cccs1)C(O)=O Show InChI InChI=1S/C76H115N23O14S/c77-74(78)86-28-5-16-53(90-64(103)47-23-21-46(22-24-47)41-95-34-11-27-84-32-31-83-25-10-26-85-33-36-95)65(104)91-54(17-6-29-87-75(79)80)69(108)96-35-8-19-57(96)71(110)98-44-51(101)39-58(98)66(105)89-40-61(102)94-62(60-20-9-37-114-60)67(106)93-56(45-100)70(109)97-42-49-13-2-1-12-48(49)38-59(97)72(111)99-43-50-14-3-4-15-52(50)63(99)68(107)92-55(73(112)113)18-7-30-88-76(81)82/h1-2,9,12-13,20-24,37,50-59,62-63,83-85,100-101H,3-8,10-11,14-19,25-36,38-45H2,(H,89,105)(H,90,103)(H,91,104)(H,92,107)(H,93,106)(H,94,102)(H,112,113)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)/t50?,51-,52?,53-,54+,55+,56+,57+,58+,59-,62-,63+/m1/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrale Pharmaforschung
Curated by ChEMBL
| Assay Description In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig pulmonary artery assay. |
J Med Chem 38: 2799-801 (1995)
BindingDB Entry DOI: 10.7270/Q2028S70 |
More data for this Ligand-Target Pair | |