BDBM50125172 4-(7bS,11aR)-6,7,8,9,11,11a-Hexahydro-5H,7bH-4-thia-7a,10-diaza-cyclohepta[jk]fluoren-10-yl-1-phenyl-butan-1-one::CHEMBL350567

SMILES: O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1

InChI Key: InChIKey=JJEUGQSNWGGUIG-SFTDATJTSA-N

Data: 3 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 3 hits for monomerid = 50125172   

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 (Homo sapiens (Human))	BDBM50125172 (4-(7bS,11aR)-6,7,8,9,11,11a-Hexahydro-5H,7bH-4-thi...) Show SMILES O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1 Show InChI InChI=1S/C24H28N2OS/c27-22(18-7-2-1-3-8-18)10-5-13-25-15-12-21-20(17-25)19-9-4-11-23-24(19)26(21)14-6-16-28-23/h1-4,7-9,11,20-21H,5-6,10,12-17H2/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50125172 (4-(7bS,11aR)-6,7,8,9,11,11a-Hexahydro-5H,7bH-4-thi...) Show SMILES O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1 Show InChI InChI=1S/C24H28N2OS/c27-22(18-7-2-1-3-8-18)10-5-13-25-15-12-21-20(17-25)19-9-4-11-23-24(19)26(21)14-6-16-28-23/h1-4,7-9,11,20-21H,5-6,10,12-17H2/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards DA D2 receptor using [3H]-N-methyl-spiperone as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50125172 (4-(7bS,11aR)-6,7,8,9,11,11a-Hexahydro-5H,7bH-4-thi...) Show SMILES O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13)c1ccccc1 Show InChI InChI=1S/C24H28N2OS/c27-22(18-7-2-1-3-8-18)10-5-13-25-15-12-21-20(17-25)19-9-4-11-23-24(19)26(21)14-6-16-28-23/h1-4,7-9,11,20-21H,5-6,10,12-17H2/t20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2C receptor using [125I]-DOI as radioligand.				Bioorg Med Chem Lett 13: 767-70 (2003) BindingDB Entry DOI: 10.7270/Q25H7FNW
					More data for this Ligand-Target Pair