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SMILES: C[C@H](Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=VFBIKSRJAYHXKT-INIZCTEOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 195614   
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
Prolactin-releasing peptide receptor


(Homo sapiens (Human))
BDBM195614
PNG
(US9206173, 2)
Show SMILES C[C@H](Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22ClF3N4O2/c1-3-13-34-24(36)21-15-33(23(35)18-6-10-20(27)11-7-18)14-12-22(21)32-25(34)31-16(2)17-4-8-19(9-5-17)26(28,29)30/h1,4-11,16H,12-15H2,2H3,(H,31,32)/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
29 -10.3n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Ch...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair
Prolactin-releasing peptide receptor


(Homo sapiens (Human))
BDBM195614
PNG
(US9206173, 2)
Show SMILES C[C@H](Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H22ClF3N4O2/c1-3-13-34-24(36)21-15-33(23(35)18-6-10-20(27)11-7-18)14-12-22(21)32-25(34)31-16(2)17-4-8-19(9-5-17)26(28,29)30/h1,4-11,16H,12-15H2,2H3,(H,31,32)/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 378n/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
HEK293 cells expressing human GPR10 were maintained in Dulbecco's Modified Eagles' medium supplemented with 10% fetal bovine serum, 1% penici...


US Patent US9206173 (2015)


BindingDB Entry DOI: 10.7270/Q23X85FS
More data for this
Ligand-Target Pair