BDBM50422025 CHEMBL103371

SMILES: CN(C)CCc1c[nH]c2ccc(CCN3CCN(C)S3(=O)=O)cc12

InChI Key: InChIKey=CAYIRJBJYNSWEQ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50422025   

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 1d (5-HT1d) receptor (Sus scrofa)	BDBM50422025 (CHEMBL103371) Show SMILES CN(C)CCc1c[nH]c2ccc(CCN3CCN(C)S3(=O)=O)cc12 Show InChI InChI=1S/C17H26N4O2S/c1-19(2)8-7-15-13-18-17-5-4-14(12-16(15)17)6-9-21-11-10-20(3)24(21,22)23/h4-5,12-13,18H,6-11H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT binding to 5-hydroxytryptamine 1D receptor from pig caudate membrane				J Med Chem 37: 3023-32 (1994) BindingDB Entry DOI: 10.7270/Q2V69KWJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50422025 (CHEMBL103371) Show SMILES CN(C)CCc1c[nH]c2ccc(CCN3CCN(C)S3(=O)=O)cc12 Show InChI InChI=1S/C17H26N4O2S/c1-19(2)8-7-15-13-18-17-5-4-14(12-16(15)17)6-9-21-11-10-20(3)24(21,22)23/h4-5,12-13,18H,6-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]DOB binding to 5-hydroxytryptamine 2A receptor from rat cortex homogenate				J Med Chem 37: 3023-32 (1994) BindingDB Entry DOI: 10.7270/Q2V69KWJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50422025 (CHEMBL103371) Show SMILES CN(C)CCc1c[nH]c2ccc(CCN3CCN(C)S3(=O)=O)cc12 Show InChI InChI=1S/C17H26N4O2S/c1-19(2)8-7-15-13-18-17-5-4-14(12-16(15)17)6-9-21-11-10-20(3)24(21,22)23/h4-5,12-13,18H,6-11H2,1-3H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from pig cortex				J Med Chem 37: 3023-32 (1994) BindingDB Entry DOI: 10.7270/Q2V69KWJ
					More data for this Ligand-Target Pair