BDBM50224095 CHEMBL264043

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)C3CCCC3)[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)c(Cl)c1

InChI Key: InChIKey=LSWFHLLLERACMP-HBSLEZBNSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224095   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM50224095 (CHEMBL264043) 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)C3CCCC3)[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)c(Cl)c1 Show InChI InChI=1S/C51H80Cl2N2O13/c1-14-38-51(10)43(55(48(60)68-51)22-21-33-19-20-35(52)36(53)24-33)29(4)40(56)27(2)25-50(9,62-13)45(67-47-41(57)37(23-28(3)63-47)54(11)34-17-15-16-18-34)30(5)42(31(6)46(59)65-38)66-39-26-49(8,61-12)44(58)32(7)64-39/h19-20,24,27-32,34,37-39,41-45,47,57-58H,14-18,21-23,25-26H2,1-13H3/t27-,28-,29+,30+,31-,32+,37+,38-,39?,41-,42+,43-,44+,45-,47?,49-,50+,51-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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