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BDBM50270378 CHEMBL516131::trans-1,1,3,3-tetraisopropyl-2-(3-(4-nitrophenyl)-2-(trimethylsilyl)oxiran-2-yl)thiourea

SMILES: CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C

InChI Key: InChIKey=PAVCLAGPWORXFT-XZOQPEGZSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50270378   
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
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50270378
PNG
(CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...)
Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r|
Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human carboxypeptidase B


Bioorg Med Chem 16: 4823-8 (2008)


Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50270378
PNG
(CHEMBL516131 | trans-1,1,3,3-tetraisopropyl-2-(3-(...)
Show SMILES CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@@]1(O[C@H]1c1ccc(cc1)[N+]([O-])=O)[Si](C)(C)C |r|
Show InChI InChI=1S/C23H42N3O3PSSi/c1-16(2)24(17(3)4)30(31,25(18(5)6)19(7)8)23(32(9,10)11)22(29-23)20-12-14-21(15-13-20)26(27)28/h12-19,22H,1-11H3/t22-,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.60E+4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic carboxypeptidase A


Bioorg Med Chem 16: 4823-8 (2008)


Article DOI: 10.1016/j.bmc.2008.03.047
BindingDB Entry DOI: 10.7270/Q2CV4HJJ
More data for this
Ligand-Target Pair