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BDBM50335477 (S)-4-(3-(2-((1-(2-(2-(2-(2-(4-((4-(1-acetyl-6-biphenyl-4-ylcarboxamido-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-5-amino-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide::CHEMBL1651822

SMILES: CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc(cc5)[C@]5(C)CC(C)(C)N(C(C)=O)c6ccc(NC(=O)c7ccc(cc7)-c7ccccc7)cc56)nn4)nn3)c2)c2c(N)c(sc2n1)C(=O)NC(C)(C)C

InChI Key: InChIKey=HRBBGJYRISMCKP-JVGAIOTISA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335477   
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
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50335477
PNG
((S)-4-(3-(2-((1-(2-(2-(2-(2-(4-((4-(1-acetyl-6-bip...)
Show SMILES CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc(cc5)[C@]5(C)CC(C)(C)N(C(C)=O)c6ccc(NC(=O)c7ccc(cc7)-c7ccccc7)cc56)nn4)nn3)c2)c2c(N)c(sc2n1)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C67H76N14O8S2/c1-43(82)81-55-26-23-50(71-61(84)46-19-17-45(18-20-46)44-13-10-9-11-14-44)36-54(55)67(7,42-66(81,5)6)48-21-24-53(25-22-48)89-41-52-40-80(78-76-52)28-30-87-32-34-88-33-31-86-29-27-79-39-51(75-77-79)37-70-56(83)38-69-49-16-12-15-47(35-49)59-57-58(68)60(62(85)74-65(2,3)4)91-63(57)73-64(72-59)90-8/h9-26,35-36,39-40,69H,27-34,37-38,41-42,68H2,1-8H3,(H,70,83)(H,71,84)(H,74,85)/t67-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 57n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human LH receptor expressed in CHO-K1 cells assessed as stimulation of luciferase activity by CRE-driven luciferase reporter gene...


ACS Med Chem Lett 2: 85-89 (2011)


Article DOI: 10.1021/ml100229v
BindingDB Entry DOI: 10.7270/Q2RV0NZG
More data for this
Ligand-Target Pair