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BDBM50146116 (E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide; Trihydrochloride::CHEMBL554127

SMILES: CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12

InChI Key: InChIKey=KXMOCPQLNJCWTL-GXDHUFHOSA-N

Data: 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 2 hits for monomerid = 50146116   
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
BDKRB2


(Homo sapiens (Human))
BDBM50146116
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)22-7-6-8-27(32(22)37-19)44-18-23-24(33)11-12-25(31(23)34)40(5)30(43)17-36-29(42)14-10-21-9-13-28(35-16-21)38-20(2)41/h6-16H,17-18H2,1-5H3,(H,36,42)(H,35,38,41)/b14-10+
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50146116
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES CN(C)c1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc12
Show InChI InChI=1S/C32H32Cl2N6O4/c1-19-15-26(39(3)4)22-7-6-8-27(32(22)37-19)44-18-23-24(33)11-12-25(31(23)34)40(5)30(43)17-36-29(42)14-10-21-9-13-28(35-16-21)38-20(2)41/h6-16H,17-18H2,1-5H3,(H,36,42)(H,35,38,41)/b14-10+
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.


J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair