BDBM50377892 CHEMBL257599

SMILES: CC[C@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)NC1CCCC1

InChI Key: InChIKey=WTOKBVWULGQFCD-GOSISDBHSA-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 = 50377892   

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))	BDBM50377892 (CHEMBL257599) Show SMILES CC[C@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)NC1CCCC1 |wU:2.36,(25.73,-5.25,;27.07,-4.49,;27.08,-2.95,;28.41,-2.19,;29.75,-2.96,;31.07,-2.2,;31.08,-.66,;32.41,-2.98,;32.4,-4.52,;33.73,-5.3,;31.06,-5.28,;31.05,-6.82,;30.26,-8.16,;28.72,-8.15,;27.95,-6.82,;27.95,-9.48,;28.72,-10.82,;30.27,-10.81,;31.03,-9.48,;32.57,-9.47,;34.11,-9.47,;32.57,-7.93,;32.58,-11.01,;29.73,-4.51,;28.39,-5.27,;33.74,-2.22,;35.07,-3,;36.41,-2.24,;36.42,-.7,;35.08,.08,;35.08,1.62,;36.42,2.38,;33.75,-.69,;32.41,.08,;25.75,-2.18,;25.75,-.64,;27,.27,;26.53,1.73,;24.99,1.74,;24.51,.27,)| Show InChI InChI=1S/C29H32F5N3O3/c1-4-18(35-19-9-5-6-10-19)15-37-27(38)25(20-11-7-14-24(40-3)26(20)31)17(2)36(28(37)39)16-21-22(29(32,33)34)12-8-13-23(21)30/h7-8,11-14,18-19,35H,4-6,9-10,15-16H2,1-3H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity to human GnRHR				Bioorg Med Chem Lett 18: 3344-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.029 BindingDB Entry DOI: 10.7270/Q2CJ8FBF
					More data for this Ligand-Target Pair