BDBM50376883 CHEMBL404611

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)ccc(=O)n2c1CN(CC(=O)NCC(=O)N1CCC(CC1)C(=O)NCC#Cc1ccccc1C#CCNC(=O)C1CCN(CC1)C(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=MBSBPEBCIHHVMH-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 = 50376883   

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))	BDBM50376883 (CHEMBL404611) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)ccc(=O)n2c1CN(CC(=O)NCC(=O)N1CCC(CC1)C(=O)NCC#Cc1ccccc1C#CCNC(=O)C1CCN(CC1)C(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C93H93F4N17O11/c1-4-98-90(123)103-69-35-31-65(32-36-69)84-78(113-81(116)43-50-111(92(113)105-84)54-71-74(94)27-15-28-75(71)95)57-107(52-61-19-9-7-10-20-61)59-80(115)102-51-82(117)109-46-39-67(40-47-109)86(119)100-44-17-25-63-23-13-14-24-64(63)26-18-45-101-87(120)68-41-48-110(49-42-68)83(118)60-108(53-62-21-11-8-12-22-62)58-79-85(66-33-37-70(38-34-66)104-91(124)99-5-2)106-93-112(55-72-76(96)29-16-30-77(72)97)56-73(88(121)114(79)93)89(122)125-6-3/h7-16,19-24,27-38,43,50,56,67-68H,4-6,39-42,44-49,51-55,57-60H2,1-3H3,(H,100,119)(H,101,120)(H,102,115)(H2,98,103,123)(H2,99,104,124)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells				Bioorg Med Chem 16: 3744-58 (2008) Article DOI: 10.1016/j.bmc.2008.01.054 BindingDB Entry DOI: 10.7270/Q2NC623R
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