BDBM50154716 (-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine::1-Methyl-4-((S)-8-methylsulfanyl-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine::CHEMBL428892

SMILES: CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1

InChI Key: InChIKey=RLJFTICUTYVZDG-SFHVURJKSA-N

Data: 3 KI  3 IC50

PDB links: 2 PDB IDs match this monomer.

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 6 hits for monomerid = 50154716   

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 (Rattus norvegicus (rat))	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of Groningen Curated by ChEMBL					Assay Description Binding affinity towards rat 5-HT7 receptor expressed in HEK cells				J Med Chem 47: 5451-66 (2004) Article DOI: 10.1021/jm049743b BindingDB Entry DOI: 10.7270/Q2TB16C9
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 7 receptor				Bioorg Med Chem Lett 10: 1097-100 (2000) BindingDB Entry DOI: 10.7270/Q2JS9RNJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 receptor				J Med Chem 46: 5638-50 (2003) Article DOI: 10.1021/jm030841r BindingDB Entry DOI: 10.7270/Q29W0J74
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Apparent inhibition constant (Ki) for cytochrome P450 19A1				J Med Chem 31: 1087-93 (1988) BindingDB Entry DOI: 10.7270/Q20Z74K6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [3H]8-OH-DPAT as a radioligand				J Med Chem 31: 1087-93 (1988) BindingDB Entry DOI: 10.7270/Q20Z74K6
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM50154716 ((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...) Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards 5-HT1B receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.				J Med Chem 31: 1087-93 (1988) BindingDB Entry DOI: 10.7270/Q20Z74K6
					More data for this Ligand-Target Pair