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BDBM50376881 CHEMBL406713

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N[C@@H](C(C)C)C(=O)NCC#Cc1cccc(c1)C#CCNC(=O)[C@@H](NC(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)C(C)C)Cc1ccccc1

InChI Key: InChIKey=UGPPSVMOASBBPU-LKVPSEKJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50376881   
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))
BDBM50376881
PNG
(CHEMBL406713)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n2c1CN(CC(=O)N[C@@H](C(C)C)C(=O)NCC#Cc1cccc(c1)C#CCNC(=O)[C@@H](NC(=O)CN(Cc1c(nc2n(Cc3c(F)cccc3F)cc(C(=O)OCC)c(=O)n12)-c1ccc(NC(=O)NCC)cc1)Cc1ccccc1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C92H94F4N16O12/c1-9-97-89(121)101-65-40-36-63(37-41-65)81-75(111-85(117)69(87(119)123-11-3)51-109(91(111)105-81)49-67-71(93)32-20-33-72(67)94)53-107(47-61-24-15-13-16-25-61)55-77(113)103-79(57(5)6)83(115)99-44-22-30-59-28-19-29-60(46-59)31-23-45-100-84(116)80(58(7)8)104-78(114)56-108(48-62-26-17-14-18-27-62)54-76-82(64-38-42-66(43-39-64)102-90(122)98-10-2)106-92-110(50-68-73(95)34-21-35-74(68)96)52-70(86(118)112(76)92)88(120)124-12-4/h13-21,24-29,32-43,46,51-52,57-58,79-80H,9-12,44-45,47-50,53-56H2,1-8H3,(H,99,115)(H,100,116)(H,103,113)(H,104,114)(H2,97,101,121)(H2,98,102,122)/t79-,80-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+3n/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