BDBM50125148 1-(2-Amino-3-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,11,11a-hexahydro-5H,7bH-4-thia-7a,10-diaza-cyclohepta[jk]fluoren-10-yl-butan-1-one::CHEMBL165126

SMILES: Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13

InChI Key: InChIKey=AXPPZNGPLKJAFR-ICSRJNTNSA-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 = 50125148   

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))	BDBM50125148 (1-(2-Amino-3-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-19-7-1-6-17(23(19)26)21(29)8-3-11-27-13-10-20-18(15-27)16-5-2-9-22-24(16)28(20)12-4-14-30-22/h1-2,5-7,9,18,20H,3-4,8,10-15,26H2/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	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))	BDBM50125148 (1-(2-Amino-3-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-19-7-1-6-17(23(19)26)21(29)8-3-11-27-13-10-20-18(15-27)16-5-2-9-22-24(16)28(20)12-4-14-30-22/h1-2,5-7,9,18,20H,3-4,8,10-15,26H2/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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))	BDBM50125148 (1-(2-Amino-3-fluoro-phenyl)-4-(7bS,11aR)-6,7,8,9,1...) Show SMILES Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3SCCCN2c13 Show InChI InChI=1S/C24H28FN3OS/c25-19-7-1-6-17(23(19)26)21(29)8-3-11-27-13-10-20-18(15-27)16-5-2-9-22-24(16)28(20)12-4-14-30-22/h1-2,5-7,9,18,20H,3-4,8,10-15,26H2/t18-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	672	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