new BindingDB logo
myBDB logout

BDBM50360420 CHEMBL1934254

SMILES: Clc1cccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12

InChI Key: InChIKey=WHIWCHUIEMMUMQ-MUUNZHRXSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50360420   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50360420
PNG
(CHEMBL1934254)
Show SMILES Clc1cccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-27-10-6-12-29-30(27)31(36)26(20-38-29)23-7-4-9-24(18-23)32(37)34-28-11-5-8-22-17-21(13-14-25(22)28)19-35-15-2-1-3-16-35/h4,6-7,9-10,12-14,17-18,20,28H,1-3,5,8,11,15-16,19H2,(H,34,37)/t28-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human B1 bradykinin receptor


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50360420
PNG
(CHEMBL1934254)
Show SMILES Clc1cccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-27-10-6-12-29-30(27)31(36)26(20-38-29)23-7-4-9-24(18-23)32(37)34-28-11-5-8-22-17-21(13-14-25(22)28)19-35-15-2-1-3-16-35/h4,6-7,9-10,12-14,17-18,20,28H,1-3,5,8,11,15-16,19H2,(H,34,37)/t28-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 248n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit B1 bradykinin receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50360420
PNG
(CHEMBL1934254)
Show SMILES Clc1cccc2occ(-c3cccc(c3)C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc34)c(=O)c12 |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-27-10-6-12-29-30(27)31(36)26(20-38-29)23-7-4-9-24(18-23)32(37)34-28-11-5-8-22-17-21(13-14-25(22)28)19-35-15-2-1-3-16-35/h4,6-7,9-10,12-14,17-18,20,28H,1-3,5,8,11,15-16,19H2,(H,34,37)/t28-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 bradykinin receptor expressed in CHO cells by aqueorin-based calcium flux assay


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair