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BDBM50008279 CHEMBL3235140

SMILES: Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O

InChI Key: InChIKey=IOOZRTSDGXVNMZ-GNAFDRTKSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50008279   
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
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50008279
PNG
(CHEMBL3235140)
Show SMILES Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TAF1a in human plasma assessed as clot lysis


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50008279
PNG
(CHEMBL3235140)
Show SMILES Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of carboxypeptidase N (unknown origin)


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair
Carboxypeptidase B2 isoform A


(Homo sapiens (Human))
BDBM50008279
PNG
(CHEMBL3235140)
Show SMILES Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O |r|
Show InChI InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1
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Article
PubMed
n/an/a<41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TAF1a


Bioorg Med Chem 22: 2261-8 (2014)


Article DOI: 10.1016/j.bmc.2014.02.010
BindingDB Entry DOI: 10.7270/Q2DZ09TG
More data for this
Ligand-Target Pair