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BDBM50037998 CHEMBL543419::{[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-cyclopropyl-amino}-acetic acid ethyl ester; hydrochloride

SMILES: CCOC(=O)CN(C1CC1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=KNLPYDUYVMRQCH-CYFREDJKSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50037998   
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 and coagulation factor X


(Homo sapiens (Human))
BDBM50037998
PNG
(CHEMBL543419 | {[(S)-3-[((S)-1-Carbamimidoyl-piper...)
Show SMILES CCOC(=O)CN(C1CC1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O6S/c1-2-40-26(36)18-34(22-10-11-22)27(37)24(15-25(35)31-16-19-6-5-13-33(17-19)28(29)30)32-41(38,39)23-12-9-20-7-3-4-8-21(20)14-23/h3-4,7-9,12,14,19,22,24,32H,2,5-6,10-11,13,15-18H2,1H3,(H3,29,30)(H,31,35)/t19-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of human thrombin


J Med Chem 37: 3889-901 (1994)


Article DOI: 10.1021/jm00049a008
BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50037998
PNG
(CHEMBL543419 | {[(S)-3-[((S)-1-Carbamimidoyl-piper...)
Show SMILES CCOC(=O)CN(C1CC1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H38N6O6S/c1-2-40-26(36)18-34(22-10-11-22)27(37)24(15-25(35)31-16-19-6-5-13-33(17-19)28(29)30)32-41(38,39)23-12-9-20-7-3-4-8-21(20)14-23/h3-4,7-9,12,14,19,22,24,32H,2,5-6,10-11,13,15-18H2,1H3,(H3,29,30)(H,31,35)/t19-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of bovine trypsin


J Med Chem 37: 3889-901 (1994)


Article DOI: 10.1021/jm00049a008
BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair