BDBM50080890 3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrolo[3,4-b]pyrrol-2-ylmethyl)-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL83426

SMILES: CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12

InChI Key: InChIKey=ZIOPDYCPXKKNRJ-KJWPAHLWSA-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 = 50080890   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50080890 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C25H28N6/c1-29-22(10-20-14-30(15-25(20)29)13-18-5-3-2-4-6-18)9-19-12-26-24-8-7-21(11-23(19)24)31-16-27-28-17-31/h2-8,11-12,16-17,20,22,25-26H,9-10,13-15H2,1H3/t20-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50080890 (3-((2R,3aR,6aR)-5-Benzyl-1-methyl-octahydro-pyrrol...) Show SMILES CN1[C@@H](Cc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]2CN(Cc3ccccc3)C[C@H]12 Show InChI InChI=1S/C25H28N6/c1-29-22(10-20-14-30(15-25(20)29)13-18-5-3-2-4-6-18)9-19-12-26-24-8-7-21(11-23(19)24)31-16-27-28-17-31/h2-8,11-12,16-17,20,22,25-26H,9-10,13-15H2,1H3/t20-,22+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 9: 2491-6 (1999) BindingDB Entry DOI: 10.7270/Q27M074P
					More data for this Ligand-Target Pair