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BDBM50080889 3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrolo[3,4-b]pyrrol-2-ylmethyl)-5-imidazol-1-yl-1H-indole::CHEMBL85668

SMILES: CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12

InChI Key: InChIKey=NYNSVPFVHILFCW-JJTGBXKASA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50080889   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50080889
PNG
(3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)


Bioorg Med Chem Lett 9: 2491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00409-6
BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50080889
PNG
(3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...)
Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12
Show InChI InChI=1S/C26H29N5/c1-29-23(12-21-16-30(17-26(21)29)15-19-5-3-2-4-6-19)11-20-14-28-25-8-7-22(13-24(20)25)31-10-9-27-18-31/h2-10,13-14,18,21,23,26,28H,11-12,15-17H2,1H3/t21-,23+,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)


Bioorg Med Chem Lett 9: 2491-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00409-6
BindingDB Entry DOI: 10.7270/Q27M074P
More data for this
Ligand-Target Pair