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BDBM50010103 CHEMBL2418042

SMILES: NC(=N)c1cc(I)c(OCc2cccc(c2)[N+]([O-])=O)c(I)c1

InChI Key: InChIKey=BXRFHMBBGCZJBW-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50010103   
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
Acrosin


(Sus scrofa)
BDBM50010103
PNG
(CHEMBL2418042)
Show SMILES NC(=N)c1cc(I)c(OCc2cccc(c2)[N+]([O-])=O)c(I)c1
Show InChI InChI=1S/C14H11I2N3O3/c15-11-5-9(14(17)18)6-12(16)13(11)22-7-8-2-1-3-10(4-8)19(20)21/h1-6H,7H2,(H3,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50010103
PNG
(CHEMBL2418042)
Show SMILES NC(=N)c1cc(I)c(OCc2cccc(c2)[N+]([O-])=O)c(I)c1
Show InChI InChI=1S/C14H11I2N3O3/c15-11-5-9(14(17)18)6-12(16)13(11)22-7-8-2-1-3-10(4-8)19(20)21/h1-6H,7H2,(H3,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


J Med Chem 21: 1132-6 (1979)


Article DOI: 10.1021/jm00209a008
BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair