BDBM50086861 3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-benzamide::CHEMBL356304

SMILES: CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1

InChI Key: InChIKey=LABFIALYPYPGFW-IBGZPJMESA-N

Data: 2 KI  1 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 = 50086861   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50086861 (3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...) Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 509-12 (2000) BindingDB Entry DOI: 10.7270/Q24Q7T7T
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50086861 (3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...) Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]ketanserin				Bioorg Med Chem Lett 10: 509-12 (2000) BindingDB Entry DOI: 10.7270/Q24Q7T7T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50086861 (3-Methylsulfanyl-N-((S)-1-phenethyl-pyrrolidin-2-y...) Show SMILES CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1 Show InChI InChI=1S/C21H26N2OS/c1-25-20-11-5-9-18(15-20)21(24)22-16-19-10-6-13-23(19)14-12-17-7-3-2-4-8-17/h2-5,7-9,11,15,19H,6,10,12-14,16H2,1H3,(H,22,24)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against binding of Dopamine receptor D2 by displacement of [3H]-spiperone				Bioorg Med Chem Lett 10: 509-12 (2000) BindingDB Entry DOI: 10.7270/Q24Q7T7T
					More data for this Ligand-Target Pair