BindingDB logo
myBDB logout

null

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]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#6]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=[#6])-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](-[#8])=O

InChI Key: InChIKey=FZFMUAZXNFWNCL-NHHPSZOVSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408817   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Cavia porcellus)
BDBM50408817
PNG
(CHEMBL1793829 | HOE-140)
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]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#6]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=[#6])-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](-[#8])=O
Show InChI InChI=1S/C55H80N14O11S/c1-31(69-41-16-5-4-11-33(41)23-45(69)53(79)80)43-22-32-10-2-3-12-34(32)28-67(43)50(76)35(30-70)24-46(72)40(26-37-13-9-21-81-37)64-47(73)27-63-49(75)44-25-36(71)29-68(44)52(78)42-17-8-20-66(42)51(77)39(15-7-19-62-55(59)60)65-48(74)38(56)14-6-18-61-54(57)58/h2-3,9-10,12-13,21,33,35-36,38-45,70-71H,1,4-8,11,14-20,22-30,56H2,(H,63,75)(H,64,73)(H,65,74)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t33-,35-,36+,38+,39-,40-,41-,42-,43+,44-,45-/m0/s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50408817
PNG
(CHEMBL1793829 | HOE-140)
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]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#6]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=[#6])-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](-[#8])=O
Show InChI InChI=1S/C55H80N14O11S/c1-31(69-41-16-5-4-11-33(41)23-45(69)53(79)80)43-22-32-10-2-3-12-34(32)28-67(43)50(76)35(30-70)24-46(72)40(26-37-13-9-21-81-37)64-47(73)27-63-49(75)44-25-36(71)29-68(44)52(78)42-17-8-20-66(42)51(77)39(15-7-19-62-55(59)60)65-48(74)38(56)14-6-18-61-54(57)58/h2-3,9-10,12-13,21,33,35-36,38-45,70-71H,1,4-8,11,14-20,22-30,56H2,(H,63,75)(H,64,73)(H,65,74)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t33-,35-,36+,38+,39-,40-,41-,42-,43+,44-,45-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 158n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair