BDBM50162953 9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cyclopenta[f]azulene::CHEMBL180319

SMILES: CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12

InChI Key: InChIKey=ACRDOIMNOGBPSA-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50162953   

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 2A (Rattus norvegicus (rat))	BDBM50162953 (9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cycl...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12 |t:8| Show InChI InChI=1S/C15H17N3S2/c1-16-6-8-17(9-7-16)13-11-18-5-2-3-14(18)20-15-12(13)4-10-19-15/h2-5,10-11H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-ketanserin binding to rat 5-hydroxytryptamine 2A receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50162953 (9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cycl...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12 |t:8| Show InChI InChI=1S/C15H17N3S2/c1-16-6-8-17(9-7-16)13-11-18-5-2-3-14(18)20-15-12(13)4-10-19-15/h2-5,10-11H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to rat dopamine D1 receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50162953 (9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cycl...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12 |t:8| Show InChI InChI=1S/C15H17N3S2/c1-16-6-8-17(9-7-16)13-11-18-5-2-3-14(18)20-15-12(13)4-10-19-15/h2-5,10-11H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-spiperone binding to rat dopamine D2 receptor				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50162953 (9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cycl...) Show SMILES CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12 |t:8| Show InChI InChI=1S/C15H17N3S2/c1-16-6-8-17(9-7-16)13-11-18-5-2-3-14(18)20-15-12(13)4-10-19-15/h2-5,10-11H,6-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-7-OH-DPAT binding to Dopamine D3 receptor expressed in Sf9 cells				J Med Chem 48: 1705-8 (2005) Article DOI: 10.1021/jm049629t BindingDB Entry DOI: 10.7270/Q2R49Q72
					More data for this Ligand-Target Pair