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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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1

InChI Key: InChIKey=YGKMYYFJXJYWAH-OJXVMNKKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224076   
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


(Homo sapiens (Human))		BDBM50224076
PNG
(CHEMBL288534)
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](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCc1ccc(Cl)cc1
Show InChI InChI=1S/C50H79ClN2O13/c1-14-37-50(10)42(53(47(58)66-50)22-21-33-17-19-35(51)20-18-33)29(4)39(54)27(2)24-49(9,60-13)44(65-46-40(55)36(23-28(3)61-46)52(11)26-34-15-16-34)30(5)41(31(6)45(57)63-37)64-38-25-48(8,59-12)43(56)32(7)62-38/h17-20,27-32,34,36-38,40-44,46,55-56H,14-16,21-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,36+,37-,38?,40-,41+,42-,43+,44-,46?,48-,49+,50-/m1/s1
PDB

KEGG

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Similars
PubMed
 13n/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