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BDBM50016523 CHEMBL3277918

SMILES: Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1

InChI Key: InChIKey=NJUFZVYTVXXRPN-UHFFFAOYSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50016523   
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
Thrombin


(Bos taurus (Bovine))
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 1.70E+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)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair
Glandular kallikrein


(Sus scrofa)
BDBM50016523
PNG
(CHEMBL3277918)
Show SMILES Cl.NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3)C(N)=N)cc2)cc1
Show InChI InChI=1S/C22H22N4O2.ClH/c23-21(24)17-5-9-19(10-6-17)27-13-15-1-2-16(4-3-15)14-28-20-11-7-18(8-12-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins


J Med Chem 19: 634-9 (1976)


Article DOI: 10.1021/jm00227a011
BindingDB Entry DOI: 10.7270/Q2KD20FM
More data for this
Ligand-Target Pair