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BDBM50167019 4-(7-Carbamimidoyl-naphthalene-2-sulfonylamino)-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-carboxylic acid; dihydrochloride::CHEMBL537637

SMILES: NC(=N)N1CCc2ccc(cc2C1)S(=O)(=O)NC1(CCN(CC1)c1ccncc1)C(O)=O

InChI Key: InChIKey=QASUVWNUUZGVCY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167019   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50167019
PNG
(4-(7-Carbamimidoyl-naphthalene-2-sulfonylamino)-3,...)
Show SMILES NC(=N)N1CCc2ccc(cc2C1)S(=O)(=O)NC1(CCN(CC1)c1ccncc1)C(O)=O
Show InChI InChI=1S/C21H26N6O4S/c22-20(23)27-10-5-15-1-2-18(13-16(15)14-27)32(30,31)25-21(19(28)29)6-11-26(12-7-21)17-3-8-24-9-4-17/h1-4,8-9,13,25H,5-7,10-12,14H2,(H3,22,23)(H,28,29)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50167019
PNG
(4-(7-Carbamimidoyl-naphthalene-2-sulfonylamino)-3,...)
Show SMILES NC(=N)N1CCc2ccc(cc2C1)S(=O)(=O)NC1(CCN(CC1)c1ccncc1)C(O)=O
Show InChI InChI=1S/C21H26N6O4S/c22-20(23)27-10-5-15-1-2-18(13-16(15)14-27)32(30,31)25-21(19(28)29)6-11-26(12-7-21)17-3-8-24-9-4-17/h1-4,8-9,13,25H,5-7,10-12,14H2,(H3,22,23)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor II (thrombin)


J Med Chem 48: 3586-604 (2005)


Article DOI: 10.1021/jm058160e
BindingDB Entry DOI: 10.7270/Q2CR5V36
More data for this
Ligand-Target Pair