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SMILES: CN(C(=O)CNC(=O)\C=C\c1ccco1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl

InChI Key: InChIKey=IHHZKBAXTOWAIZ-DHZHZOJOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50074985   
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)
BDBM50074985
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccco1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C25H21Cl2N3O4S/c1-15-29-25-20(6-3-7-21(25)35-15)34-14-17-18(26)9-10-19(24(17)27)30(2)23(32)13-28-22(31)11-8-16-5-4-12-33-16/h3-12H,13-14H2,1-2H3,(H,28,31)/b11-8+
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.40n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel GmbH

Curated by ChEMBL


Assay Description
Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)


Bioorg Med Chem Lett 9: 327-32 (1999)


BindingDB Entry DOI: 10.7270/Q2416W7C
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50074985
PNG
((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccco1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl
Show InChI InChI=1S/C25H21Cl2N3O4S/c1-15-29-25-20(6-3-7-21(25)35-15)34-14-17-18(26)9-10-19(24(17)27)30(2)23(32)13-28-22(31)11-8-16-5-4-12-33-16/h3-12H,13-14H2,1-2H3,(H,28,31)/b11-8+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Hoechst Marion Roussel GmbH

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)


Bioorg Med Chem Lett 9: 327-32 (1999)


BindingDB Entry DOI: 10.7270/Q2416W7C
More data for this
Ligand-Target Pair