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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50001570'   
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001570
PNG
(CHEMBL268491)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)CC(C)C)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H73ClN2O11/c1-15-35-46(12)40(49(44(54)60-46)21-20-32-16-18-33(47)19-17-32)29(8)37(51)27(6)24-45(11,55-14)41(59-43-38(52)34(23-28(7)56-43)48(13)26(4)5)30(9)39(31(10)42(53)57-35)58-36(50)22-25(2)3/h16-19,25-31,34-35,38-41,43,52H,15,20-24H2,1-14H3/t27-,28-,29+,30+,31-,34+,35-,38-,39+,40-,41-,43?,45+,46-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
141n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50001570
PNG
(CHEMBL268491)
Show SMILES [H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C(C)C)[C@@H](C)[C@H](OC(=O)CC(C)C)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C46H73ClN2O11/c1-15-35-46(12)40(49(44(54)60-46)21-20-32-16-18-33(47)19-17-32)29(8)37(51)27(6)24-45(11,55-14)41(59-43-38(52)34(23-28(7)56-43)48(13)26(4)5)30(9)39(31(10)42(53)57-35)58-36(50)22-25(2)3/h16-19,25-31,34-35,38-41,43,52H,15,20-24H2,1-14H3/t27-,28-,29+,30+,31-,34+,35-,38-,39+,40-,41-,43?,45+,46-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.04E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair