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BDBM50430382 CHEMBL2334317

SMILES: CCCNc1cnc2CC[C@@H](C(=O)NCc3ccc(cc3)C(N)=N)n2c1=O

InChI Key: InChIKey=QVDKIDCMKYACQU-GGYSOQFKNA-N

Data: 2 KI

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 = 50430382   
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))
BDBM50430382
PNG
(CHEMBL2334317)
Show SMILES CCCNc1cnc2CC[C@@H](C(=O)NCc3ccc(cc3)C(N)=N)n2c1=O
Show InChI InChI=1/C19H24N6O2/c1-2-9-22-14-11-23-16-8-7-15(25(16)19(14)27)18(26)24-10-12-3-5-13(6-4-12)17(20)21/h3-6,11,15,22H,2,7-10H2,1H3,(H3,20,21)(H,24,26)/t15-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) by chromogenic substrate assay


Bioorg Med Chem Lett 23: 1604-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50430382
PNG
(CHEMBL2334317)
Show SMILES CCCNc1cnc2CC[C@@H](C(=O)NCc3ccc(cc3)C(N)=N)n2c1=O
Show InChI InChI=1/C19H24N6O2/c1-2-9-22-14-11-23-16-8-7-15(25(16)19(14)27)18(26)24-10-12-3-5-13(6-4-12)17(20)21/h3-6,11,15,22H,2,7-10H2,1H3,(H3,20,21)(H,24,26)/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of factor-10a (unknown origin) by chromogenic substrate assay


Bioorg Med Chem Lett 23: 1604-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.094
BindingDB Entry DOI: 10.7270/Q2PR7XBQ
More data for this
Ligand-Target Pair