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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 = 'BDBM50001571'   
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)
BDBM50001571
PNG
(CHEMBL273466)
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)N3CCOC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H68ClN3O13/c1-13-33-45(10)37(48(43(55)62-45)19-18-30-14-16-31(46)17-15-30)27(6)34(50)25(4)23-44(9,56-12)38(61-40-35(51)32(22-26(5)58-40)47(11)24(2)3)28(7)36(29(8)39(52)59-33)60-42(54)49-20-21-57-41(49)53/h14-17,24-29,32-33,35-38,40,51H,13,18-23H2,1-12H3/t25-,26-,27+,28+,29-,32+,33-,35-,36+,37-,38-,40?,44+,45-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/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))
BDBM50001571
PNG
(CHEMBL273466)
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)N3CCOC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H68ClN3O13/c1-13-33-45(10)37(48(43(55)62-45)19-18-30-14-16-31(46)17-15-30)27(6)34(50)25(4)23-44(9,56-12)38(61-40-35(51)32(22-26(5)58-40)47(11)24(2)3)28(7)36(29(8)39(52)59-33)60-42(54)49-20-21-57-41(49)53/h14-17,24-29,32-33,35-38,40,51H,13,18-23H2,1-12H3/t25-,26-,27+,28+,29-,32+,33-,35-,36+,37-,38-,40?,44+,45-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/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