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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50224094'   
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


(Homo sapiens (Human))		BDBM50224094
PNG
(CHEMBL418256)
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)CC3CC3)[C@@H](C)[C@H](OC(=O)N3[C@@H](C)COC3=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C47H70ClN3O13/c1-12-35-47(9)39(50(43(55)64-47)20-19-31-15-17-33(48)18-16-31)28(5)36(52)25(2)22-46(8,58-11)40(63-42-37(53)34(21-27(4)60-42)49(10)23-32-13-14-32)29(6)38(30(7)41(54)61-35)62-45(57)51-26(3)24-59-44(51)56/h15-18,25-30,32,34-35,37-40,42,53H,12-14,19-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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Similars
PubMed
 19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells

Bioorg Med Chem Lett 14: 1599-602 (2004)


BindingDB Entry DOI: 10.7270/Q27083NK
More data for this
Ligand-Target Pair