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BDBM50136577 CHEMBL3752071

SMILES: Clc1ccc(c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1

InChI Key: InChIKey=DCSWPKKYPICTAU-ANBDAQEENA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136577   
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))
BDBM50136577
PNG
(CHEMBL3752071)
Show SMILES Clc1ccc(c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1
Show InChI InChI=1/C26H23ClN10O2/c27-21-10-11-23(37-16-29-33-36-37)20(15-21)12-13-28-26(39)22(14-17-4-2-1-3-5-17)30-25(38)19-8-6-18(7-9-19)24-31-34-35-32-24/h1-11,15-16,22H,12-14H2,(H,28,39)(H,30,38)(H,31,32,34,35)/t22-/s2
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

PubMed
1.66E+3n/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))
BDBM50136577
PNG
(CHEMBL3752071)
Show SMILES Clc1ccc(c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1
Show InChI InChI=1/C26H23ClN10O2/c27-21-10-11-23(37-16-29-33-36-37)20(15-21)12-13-28-26(39)22(14-17-4-2-1-3-5-17)30-25(38)19-8-6-18(7-9-19)24-31-34-35-32-24/h1-11,15-16,22H,12-14H2,(H,28,39)(H,30,38)(H,31,32,34,35)/t22-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
>6.00E+3n/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