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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lutropin-choriogonadotropic hormone receptor' and Ligand = 'BDBM50189778'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50189778
PNG
(CHEMBL211405 | N-tert-butyl-5-amino-4-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1nc(SC)nc2sc(C(=O)NC(C)(C)C)c(N)c12
Show InChI InChI=1S/C19H22N4O2S2/c1-19(2,3)23-16(24)15-13(20)12-14(10-7-6-8-11(9-10)25-4)21-18(26-5)22-17(12)27-15/h6-9H,20H2,1-5H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



NIH Chemical Genomics Center

Curated by ChEMBL


Assay Description
Agonist activity at LHCGR (unknown origin)


Medchemcomm 2: 1016-1020 (2011)


Article DOI: 10.1039/c1md00145k
BindingDB Entry DOI: 10.7270/Q2668H51
More data for this
Ligand-Target Pair
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50189778
PNG
(CHEMBL211405 | N-tert-butyl-5-amino-4-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1nc(SC)nc2sc(C(=O)NC(C)(C)C)c(N)c12
Show InChI InChI=1S/C19H22N4O2S2/c1-19(2,3)23-16(24)15-13(20)12-14(10-7-6-8-11(9-10)25-4)21-18(26-5)22-17(12)27-15/h6-9H,20H2,1-5H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at LHCGR expressed in HEK293 EM cells measured by intracellular cAMP accumulation


J Med Chem 49: 3888-96 (2006)


Article DOI: 10.1021/jm060247s
BindingDB Entry DOI: 10.7270/Q29886MR
More data for this
Ligand-Target Pair