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BDBM140005 US8901295, F684

SMILES: CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1

InChI Key: InChIKey=BWOIOAFNMATNEP-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 140005   
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))
BDBM140005
PNG
(US8901295, F684)
Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

n/an/a 370n/an/an/an/an/an/a



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))
BDBM140005
PNG
(US8901295, F684)
Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

n/an/a 640n/an/an/an/an/an/a



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))
BDBM140005
PNG
(US8901295, F684)
Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

n/an/a 650n/an/an/an/an/an/a



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