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3 similar compounds to monomer 140006

Compile data set for download or QSAR
Wt: 398.5
BDBM140005
Wt: 412.5
BDBM140007
Wt: 472.6
BDBM140008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 140005,140007,140008   
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
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 370n/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 A (CYPA)


(Homo sapiens (Human))
BDBM140007
PNG
(US8901295, F714)
Show SMILES CSc1ccccc1C1CCCN1C(=O)C(C)NC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C22H28N4O2S/c1-15(25-22(28)24-14-16-9-11-17(23)12-10-16)21(27)26-13-5-7-19(26)18-6-3-4-8-20(18)29-2/h3-4,6,8-12,15,19H,5,7,13-14,23H2,1-2H3,(H2,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.10E+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 A (CYPA)


(Homo sapiens (Human))
BDBM140008
PNG
(US8901295, F716)
Show SMILES CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC
Show InChI InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 790n/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))
BDBM140008
PNG
(US8901295, F716)
Show SMILES CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC
Show InChI InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 660n/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))
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
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 640n/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))
BDBM140007
PNG
(US8901295, F714)
Show SMILES CSc1ccccc1C1CCCN1C(=O)C(C)NC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C22H28N4O2S/c1-15(25-22(28)24-14-16-9-11-17(23)12-10-16)21(27)26-13-5-7-19(26)18-6-3-4-8-20(18)29-2/h3-4,6,8-12,15,19H,5,7,13-14,23H2,1-2H3,(H2,24,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10E+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 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
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 650n/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