BindingDB logo
myBDB logout

BDBM50212928 (1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine::CHEMBL233563

SMILES: N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1

InChI Key: InChIKey=MFPLFCBEVVPYPT-KSMMKXTCSA-N

Data: 5 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 5 hits for monomerid = 50212928   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.56E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.23E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50212928
PNG
((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...)
Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1
Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 3877-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.106
BindingDB Entry DOI: 10.7270/Q20K2884
More data for this
Ligand-Target Pair