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BDBM50113825 1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-4-methyl-piperidine-2-carboxylicacid anion::CHEMBL315611

SMILES: CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12

InChI Key: InChIKey=KXNPVXPOPUZYGB-YCPQDUGXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113825   
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))
BDBM50113825
PNG
(1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quin...)
Show SMILES CC1CCN(C(C1)C([O-])=O)C(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1cccc2C[C@@H](C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14?,15-,17?,18?/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.90E+4n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against bovine Thrombin


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair