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BDBM50376877 CHEMBL259878

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc1ccc(cc1)C#CCNC(=O)[C@H](C)NC(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=VBNGTWHPUDTKSW-ATMVKLMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376877   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))		BDBM50376877
PNG
(CHEMBL259878)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N[C@@H](C)C(=O)NCC#Cc1ccc(cc1)C#CCNC(=O)[C@H](C)NC(=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/C88H86F4N16O12/c1-7-93-85(117)99-63-39-35-61(36-40-63)77-73(107-81(113)67(83(115)119-9-3)49-105(87(107)101-77)47-65-69(89)27-17-28-70(65)90)51-103(45-59-21-13-11-14-22-59)53-75(109)97-55(5)79(111)95-43-19-25-57-31-33-58(34-32-57)26-20-44-96-80(112)56(6)98-76(110)54-104(46-60-23-15-12-16-24-60)52-74-78(62-37-41-64(42-38-62)100-86(118)94-8-2)102-88-106(48-66-71(91)29-18-30-72(66)92)50-68(82(114)108(74)88)84(116)120-10-4/h11-18,21-24,27-42,49-50,55-56H,7-10,43-48,51-54H2,1-6H3,(H,95,111)(H,96,112)(H,97,109)(H,98,110)(H2,93,99,117)(H2,94,100,118)/t55-,56-/m0/s1
PDB

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Similars
Article
PubMed
 480n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair