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BDBM50214401 (6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide::CHEMBL388509

SMILES: CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=VJRBXIHTQMRKQY-JXSIFGCMSA-N

Data: 2 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50214401   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
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](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O |c:22|
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 600n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
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](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O |c:22|
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.60E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 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