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BDBM50136615 CHEMBL3751935

SMILES: Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1

InChI Key: InChIKey=JETYKMQJWVKTJR-GCHBYSHPNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136615   
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
Coagulation factor XI


(Homo sapiens (human))
BDBM50136615
PNG
(CHEMBL3751935)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1
Show InChI InChI=1/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/s2
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PC cid
PC sid
UniChem

Similars

PubMed
43n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analy...


Citation and Details
More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM50136615
PNG
(CHEMBL3751935)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(cc2)-n2cnnn2)c1)-n1cnnn1
Show InChI InChI=1/C26H21ClN10O2/c27-20-7-12-24(37-17-29-33-35-37)19(15-20)6-13-25(38)31-23(14-18-4-2-1-3-5-18)26(39)30-21-8-10-22(11-9-21)36-16-28-32-34-36/h1-13,15-17,23H,14H2,(H,30,39)(H,31,38)/b13-6+/t23-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Citation and Details
More data for this
Ligand-Target Pair