new BindingDB logo
myBDB logout

BDBM50344115 CHEMBL1777973::N-((R)-6-(aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((R)-3-oxo-1-tosylpiperazin-2-yl)acetamide

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12

InChI Key: InChIKey=ZUIMINVUIMIXTR-FGZHOGPDSA-N

Data: 2 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 4 hits for monomerid = 50344115   
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))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r|
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r|
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r|
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344115
PNG
(CHEMBL1777973 | N-((R)-6-(aminomethyl)-1,2,3,4-tet...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12 |r|
Show InChI InChI=1S/C24H30N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-10,13,21-22H,2-4,11-12,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair