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SMILES: OC1(CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F

InChI Key:

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 2 hits for monomerid = 50548466   
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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50548466
PNG
(CHEMBL4757424)
Show SMILES OC1(CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F |(57.14,-3.38,;56.05,-4.48,;57.14,-5.57,;56.75,-7.05,;55.26,-7.46,;54.16,-6.38,;54.56,-4.89,;56.19,-8.7,;57.73,-8.68,;59.07,-9.43,;59.05,-7.89,;55.29,-9.96,;53.81,-9.5,;52.47,-10.28,;51.14,-9.51,;51.14,-7.98,;49.8,-7.21,;48.47,-7.99,;48.48,-9.53,;47.13,-7.22,;47.13,-5.69,;45.8,-4.92,;44.47,-5.7,;44.48,-7.25,;45.82,-8.01,;52.46,-7.2,;53.8,-7.96,;55.78,-11.42,;57.27,-11.01,;56.87,-12.5,;54.77,-12.58,;53.26,-12.28,;52.24,-13.44,;52.74,-14.9,;51.73,-16.06,;54.27,-15.19,;55.27,-14.03,;55.64,-2.99,;56.73,-1.89,;54.15,-2.59,;55.24,-1.49,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 228n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50548466
PNG
(CHEMBL4757424)
Show SMILES OC1(CCC2(CC1)C(C1CC1)N(c1ccc(NC(=O)c3cccnc3)cc21)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F |(57.14,-3.38,;56.05,-4.48,;57.14,-5.57,;56.75,-7.05,;55.26,-7.46,;54.16,-6.38,;54.56,-4.89,;56.19,-8.7,;57.73,-8.68,;59.07,-9.43,;59.05,-7.89,;55.29,-9.96,;53.81,-9.5,;52.47,-10.28,;51.14,-9.51,;51.14,-7.98,;49.8,-7.21,;48.47,-7.99,;48.48,-9.53,;47.13,-7.22,;47.13,-5.69,;45.8,-4.92,;44.47,-5.7,;44.48,-7.25,;45.82,-8.01,;52.46,-7.2,;53.8,-7.96,;55.78,-11.42,;57.27,-11.01,;56.87,-12.5,;54.77,-12.58,;53.26,-12.28,;52.24,-13.44,;52.74,-14.9,;51.73,-16.06,;54.27,-15.19,;55.27,-14.03,;55.64,-2.99,;56.73,-1.89,;54.15,-2.59,;55.24,-1.49,)|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01076
BindingDB Entry DOI: 10.7270/Q26D5XK9
More data for this
Ligand-Target Pair