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BDBM50404513 CHEMBL166674

SMILES: COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=NSIRNQSLFSCWOL-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50404513   
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))
BDBM50404513
PNG
(CHEMBL166674)
Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C19H27N5O4S/c1-24(2)16-10-4-8-14-13(16)7-5-11-17(14)29(26,27)23-15(18(25)28-3)9-6-12-22-19(20)21/h4-5,7-8,10-11,15,23H,6,9,12H2,1-3H3,(H4,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin


J Med Chem 23: 827-30 (1980)


BindingDB Entry DOI: 10.7270/Q2KH0PH2
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50404513
PNG
(CHEMBL166674)
Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
Show InChI InChI=1S/C19H27N5O4S/c1-24(2)16-10-4-8-14-13(16)7-5-11-17(14)29(26,27)23-15(18(25)28-3)9-6-12-22-19(20)21/h4-5,7-8,10-11,15,23H,6,9,12H2,1-3H3,(H4,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.


J Med Chem 23: 827-30 (1980)


BindingDB Entry DOI: 10.7270/Q2KH0PH2
More data for this
Ligand-Target Pair