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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50027284   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin


(Bos taurus (Bovine))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.24E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins ...


J Med Chem 21: 613-23 (1978)


Article DOI: 10.1021/jm00205a005
BindingDB Entry DOI: 10.7270/Q23B61PN
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50027284
PNG
(2-{4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-pheny...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=N)cc1
Show InChI InChI=1S/C26H28N6O2/c27-24(28)17-4-9-20(10-5-17)33-14-2-1-3-15-34-21-11-6-18(7-12-21)26-31-22-13-8-19(25(29)30)16-23(22)32-26/h4-13,16H,1-3,14-15H2,(H3,27,28)(H3,29,30)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.24E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


Article DOI: 10.1021/jm00356a036
BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair