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BDBM50101192 CHEMBL45597::N-[4-(4-{2-[5-(1,1-Dimethyl-2-morpholin-4-yl-2-oxo-ethyl)-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide

SMILES: Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C(=O)N1CCOCC1

InChI Key: InChIKey=RKZCTYFZGUIBCA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50101192   
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


(Rattus norvegicus)
BDBM50101192
PNG
(CHEMBL45597 | N-[4-(4-{2-[5-(1,1-Dimethyl-2-morpho...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H48N4O4S/c1-26-22-27(2)24-29(23-26)35-32(15-17-38-16-7-6-8-28-9-12-31(13-10-28)40-46(5,43)44)33-25-30(11-14-34(33)39-35)37(3,4)36(42)41-18-20-45-21-19-41/h9-14,22-25,38-40H,6-8,15-21H2,1-5H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition GnRH-stimulated luteinizing hormone (LH) release from rat pituitary cells


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50101192
PNG
(CHEMBL45597 | N-[4-(4-{2-[5-(1,1-Dimethyl-2-morpho...)
Show SMILES Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccc(NS(C)(=O)=O)cc1)C(C)(C)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H48N4O4S/c1-26-22-27(2)24-29(23-26)35-32(15-17-38-16-7-6-8-28-9-12-31(13-10-28)40-46(5,43)44)33-25-30(11-14-34(33)39-35)37(3,4)36(42)41-18-20-45-21-19-41/h9-14,22-25,38-40H,6-8,15-21H2,1-5H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition GnRH-stimulated luteinizing hormone (LH) release from rat pituitary cells


Bioorg Med Chem Lett 11: 1723-6 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0MK4
More data for this
Ligand-Target Pair