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BDBM46034 US8901295, F607

SMILES: CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1

InChI Key: InChIKey=PBTXVZDJFSIFNB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 46034   
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
Cyclophilin A (CYPA)


(Homo sapiens (Human))
BDBM46034
PNG
(US8901295, F607)
Show SMILES CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.00E+3n/an/an/an/a7.820



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)


BindingDB Entry DOI: 10.7270/Q2R49PGS
More data for this
Ligand-Target Pair
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM46034
PNG
(US8901295, F607)
Show SMILES CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.00E+4n/an/an/an/a7.820



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)


BindingDB Entry DOI: 10.7270/Q2R49PGS
More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM46034
PNG
(US8901295, F607)
Show SMILES CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.80E+3n/an/an/an/a7.820



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)


BindingDB Entry DOI: 10.7270/Q2R49PGS
More data for this
Ligand-Target Pair