BDBM50375883 CHEMBL260816

SMILES: COc1ccc(CN2CC3CC(N4C(=O)N(CCN5CCOCC5)C(=O)C34C2)c2ccc(N(C)C)c3ccccc23)cc1NC(C)=O

InChI Key: InChIKey=PTDRBZFOIGWLQB-UHFFFAOYSA-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 = 50375883   

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 1 (GnRHR1) (Homo sapiens (Human))	BDBM50375883 (CHEMBL260816) Show SMILES COc1ccc(CN2CC3CC(N4C(=O)N(CCN5CCOCC5)C(=O)C34C2)c2ccc(N(C)C)c3ccccc23)cc1NC(C)=O |w:9.9,11.31,26.29| Show InChI InChI=1S/C36H44N6O5/c1-24(43)37-30-19-25(9-12-33(30)46-4)21-40-22-26-20-32(29-10-11-31(38(2)3)28-8-6-5-7-27(28)29)42-35(45)41(34(44)36(26,42)23-40)14-13-39-15-17-47-18-16-39/h5-12,19,26,32H,13-18,20-23H2,1-4H3,(H,37,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of GnRH receptor				Bioorg Med Chem 16: 422-7 (2008) Article DOI: 10.1016/j.bmc.2007.09.026 BindingDB Entry DOI: 10.7270/Q2Z60PXR
					More data for this Ligand-Target Pair