BDBM50109235 7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid (3-phenyl-propyl)-amide::CHEMBL130558

SMILES: CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1

InChI Key: InChIKey=VCLRZYGHUPYVKQ-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 = 50109235   

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))	BDBM50109235 (7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[...) Show SMILES CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1 Show InChI InChI=1S/C43H45FN6O3/c1-3-12-40(51)47-35-21-19-32(20-22-35)36-27-41-49(28-33-16-7-8-18-38(33)44)29-37(42(52)46-25-11-15-31-13-5-4-6-14-31)43(53)50(41)39(36)30-48(2)26-23-34-17-9-10-24-45-34/h4-10,13-14,16-22,24,27,29H,3,11-12,15,23,25-26,28,30H2,1-2H3,(H,46,52)(H,47,51)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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 gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...				Bioorg Med Chem Lett 12: 403-6 (2002) BindingDB Entry DOI: 10.7270/Q2542MXV
					More data for this Ligand-Target Pair