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BDBM50214404 (6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1-yl)-4-cyclohexyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL226694

SMILES: CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O

InChI Key: InChIKey=CWFYFSVSDFREOX-HNLGHXBASA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214404   
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
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50214404
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O
Show InChI InChI=1S/C40H50N6O4/c1-23(2)36(44-38(48)27-18-29-28-13-9-14-30-35(28)26(21-42-30)20-33(29)45(3)22-27)39(49)43-31(17-16-24-10-5-4-6-11-24)40(50)46-32-15-8-7-12-25(32)19-34(46)37(41)47/h7-9,12-15,18,21,23-24,27,31,33-34,36,42H,4-6,10-11,16-17,19-20,22H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)/t27-,31+,33-,34+,36+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.50E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair