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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50010136'   
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


(Bos taurus (Bovine))
BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins


J Med Chem 19: 634-9 (1976)


BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen


J Med Chem 19: 634-9 (1976)


BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair