BDBM50221364 CHEMBL239066::N-[4-(2,3,4,5,10,15-hexahydro-1H-dibenzo[b:e]-pyrazino[2,1-g]azepin-1-yl)butyl]thiophen-2-carboxamide

SMILES: O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cccs1

InChI Key: InChIKey=OXKVUNLFMUWLAP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50221364   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50221364 (CHEMBL239066 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...) Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cccs1 |w:11.11| Show InChI InChI=1S/C26H29N3OS/c30-26(25-12-7-17-31-25)27-13-5-6-14-28-15-16-29-23-11-4-2-9-21(23)18-20-8-1-3-10-22(20)24(29)19-28/h1-4,7-12,17,24H,5-6,13-16,18-19H2,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells				Bioorg Med Chem 15: 7258-73 (2007) Article DOI: 10.1016/j.bmc.2007.08.034 BindingDB Entry DOI: 10.7270/Q21C1WMX
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50221364 (CHEMBL239066 | N-[4-(2,3,4,5,10,15-hexahydro-1H-di...) Show SMILES O=C(NCCCCN1CCN2C(C1)c1ccccc1Cc1ccccc21)c1cccs1 |w:11.11| Show InChI InChI=1S/C26H29N3OS/c30-26(25-12-7-17-31-25)27-13-5-6-14-28-15-16-29-23-11-4-2-9-21(23)18-20-8-1-3-10-22(20)24(29)19-28/h1-4,7-12,17,24H,5-6,13-16,18-19H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells				Bioorg Med Chem 15: 7258-73 (2007) Article DOI: 10.1016/j.bmc.2007.08.034 BindingDB Entry DOI: 10.7270/Q21C1WMX
					More data for this Ligand-Target Pair