BDBM50376873 CHEMBL438168

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N1CCC(CC1)C(=O)NCC#Cc1ccc(cc1)C#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=SFAQZPAVITZHCQ-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 = 50376873   

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))	BDBM50376873 (CHEMBL438168) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N1CCC(CC1)C(=O)NCC#Cc1ccc(cc1)C#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/C94H94F4N16O12/c1-5-99-91(123)103-69-37-33-65(34-38-69)83-79(113-87(119)73(89(121)125-7-3)55-111(93(113)105-83)53-71-75(95)25-15-26-76(71)96)57-107(51-63-19-11-9-12-20-63)59-81(115)109-47-41-67(42-48-109)85(117)101-45-17-23-61-29-31-62(32-30-61)24-18-46-102-86(118)68-43-49-110(50-44-68)82(116)60-108(52-64-21-13-10-14-22-64)58-80-84(66-35-39-70(40-36-66)104-92(124)100-6-2)106-94-112(54-72-77(97)27-16-28-78(72)98)56-74(88(120)114(80)94)90(122)126-8-4/h9-16,19-22,25-40,55-56,67-68H,5-8,41-54,57-60H2,1-4H3,(H,101,117)(H,102,118)(H2,99,103,123)(H2,100,104,124)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	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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