BDBM50171675 1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-ethyl]-4,5-dimethyl-3,4-dihydro-2H-quinolin-1-yl}-ethanone::CHEMBL197663

SMILES: CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12

InChI Key: InChIKey=ZEBDIAQRPDZLLQ-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 = 50171675   

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))	BDBM50171675 (1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...) Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50171675 (1-{8-[2-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-e...) Show SMILES CC1CCN(C(C)=O)c2c(CCN3CCN(CC3)c3noc4ccccc34)ccc(C)c12 Show InChI InChI=1S/C26H32N4O2/c1-18-8-9-21(25-24(18)19(2)10-13-30(25)20(3)31)11-12-28-14-16-29(17-15-28)26-22-6-4-5-7-23(22)32-27-26/h4-9,19H,10-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 15: 4560-3 (2005) Article DOI: 10.1016/j.bmcl.2005.06.097 BindingDB Entry DOI: 10.7270/Q27S7NBQ
					More data for this Ligand-Target Pair