Found 4 hits of Enzyme Inhibition Constant Data 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)) | BDBM50214791
(CHEMBL3142597)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C53H90N16O9/c54-37(21-15-28-62-51(55)56)45(72)66-38(22-16-29-63-52(57)58)46(73)61-27-14-8-6-4-2-1-3-5-7-9-25-43(71)65-40(33-70)48(75)68-31-26-34-18-10-12-20-36(34)44(68)49(76)69-41-24-13-11-19-35(41)32-42(69)47(74)67-39(50(77)78)23-17-30-64-53(59)60/h10,12,18,20,35,37-42,44,70H,1-9,11,13-17,19,21-33,54H2,(H,61,73)(H,65,71)(H,66,72)(H,67,74)(H,77,78)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)/t35?,37-,38-,39-,40-,41?,42-,44+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against [3H]-BK in membrane preparations from a stable cell line that expresses the human B2 receptor |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50214793
(CHEMBL3142595)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6@@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C52H88N16O9/c53-36(20-14-27-61-50(54)55)44(71)65-37(21-15-28-62-51(56)57)45(72)60-26-13-7-5-3-1-2-4-6-8-24-42(70)64-39(32-69)47(74)67-30-25-33-17-9-11-19-35(33)43(67)48(75)68-40-23-12-10-18-34(40)31-41(68)46(73)66-38(49(76)77)22-16-29-63-52(58)59/h9,11,17,19,34,36-41,43,69H,1-8,10,12-16,18,20-32,53H2,(H,60,72)(H,64,70)(H,65,71)(H,66,73)(H,76,77)(H4,54,55,61)(H4,56,57,62)(H4,58,59,63)/t34?,36-,37+,38+,39+,40?,41+,43-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against [3H]-BK in the classical guinea pig ileum B2 binding assay |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50290545
((S)-2-{[(S)-1-((S)-2-{13-[(S)-2-((S)-2,6-Diamino-h...)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H72N10O8/c43-24-14-13-20-31(44)37(55)50-32(21-16-26-48-42(45)46)38(56)47-25-15-8-6-4-2-1-3-5-7-12-23-36(54)49-34(29-53)40(58)52-27-17-22-35(52)39(57)51-33(41(59)60)28-30-18-10-9-11-19-30/h9-11,18-19,31-35,53H,1-8,12-17,20-29,43-44H2,(H,47,56)(H,49,54)(H,50,55)(H,51,57)(H,59,60)(H4,45,46,48)/t31-,32-,33-,34-,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 980 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50214792
(CHEMBL264100 | des-Arg10-Kallidin)Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Functional antagonism against BK-induced contractions in the classical guinea pig ileum B2 binding assay |
Bioorg Med Chem Lett 7: 2661-2664 (1997)
Article DOI: 10.1016/S0960-894X(97)10042-7
BindingDB Entry DOI: 10.7270/Q2BC3ZJD |
More data for this
Ligand-Target Pair | |
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