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BDBM50344105 2-((R)-4-methyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide::CHEMBL1777963

SMILES: CN1CCN([C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C1=O)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=YUCYSNBRNZOMJX-LEFKRGDZNA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50344105   
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))
BDBM50344105
PNG
(2-((R)-4-methyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R...)
Show SMILES CN1CCN([C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C30H40N4O4S/c1-22-9-12-25(13-10-22)39(37,38)34-18-17-32(2)30(36)28(34)20-29(35)31-27-8-6-7-24-19-23(11-14-26(24)27)21-33-15-4-3-5-16-33/h9-14,19,27-28H,3-8,15-18,20-21H2,1-2H3,(H,31,35)/t27-,28-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
442n/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))
BDBM50344105
PNG
(2-((R)-4-methyl-3-oxo-1-tosylpiperazin-2-yl)-N-((R...)
Show SMILES CN1CCN([C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1/C30H40N4O4S/c1-22-9-12-25(13-10-22)39(37,38)34-18-17-32(2)30(36)28(34)20-29(35)31-27-8-6-7-24-19-23(11-14-26(24)27)21-33-15-4-3-5-16-33/h9-14,19,27-28H,3-8,15-18,20-21H2,1-2H3,(H,31,35)/t27-,28-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98.6n/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