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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50113800   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50113800
PNG
(CHEMBL81643 | RS-(1-Benzyl-2-{2-[2-(1-carbamimidoy...)
Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@@H](Cc1ccccc1)NCC(O)=O
Show InChI InChI=1S/C24H37N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h1-3,6-7,19-21,27H,4-5,8-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50113800
PNG
(CHEMBL81643 | RS-(1-Benzyl-2-{2-[2-(1-carbamimidoy...)
Show SMILES NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@@H](Cc1ccccc1)NCC(O)=O
Show InChI InChI=1S/C24H37N5O4/c25-24(26)28-13-9-20(10-14-28)33-15-11-19-8-4-5-12-29(19)23(32)21(27-17-22(30)31)16-18-6-2-1-3-7-18/h1-3,6-7,19-21,27H,4-5,8-17H2,(H3,25,26)(H,30,31)/t19?,21-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

PubMed
7.90E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


J Med Chem 45: 2432-53 (2002)


BindingDB Entry DOI: 10.7270/Q2S181VR
More data for this
Ligand-Target Pair