BDBM50414840 CHEMBL576756

SMILES: CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1

InChI Key: InChIKey=GFDZRHZKBRJIGS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50414840   

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))	BDBM50414840 (CHEMBL576756) Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human cloned 5HT2A receptor				Bioorg Med Chem Lett 19: 6059-62 (2009) Article DOI: 10.1016/j.bmcl.2009.09.041 BindingDB Entry DOI: 10.7270/Q2M046P5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50414840 (CHEMBL576756) Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor				Bioorg Med Chem Lett 19: 6059-62 (2009) Article DOI: 10.1016/j.bmcl.2009.09.041 BindingDB Entry DOI: 10.7270/Q2M046P5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50414840 (CHEMBL576756) Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D2 receptor				Bioorg Med Chem Lett 19: 6059-62 (2009) Article DOI: 10.1016/j.bmcl.2009.09.041 BindingDB Entry DOI: 10.7270/Q2M046P5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50414840 (CHEMBL576756) Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor				Bioorg Med Chem Lett 19: 6059-62 (2009) Article DOI: 10.1016/j.bmcl.2009.09.041 BindingDB Entry DOI: 10.7270/Q2M046P5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50414840 (CHEMBL576756) Show SMILES CNc1ncc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2n1 Show InChI InChI=1S/C22H24FN5O2/c1-24-22-25-11-17-18(26-22)8-13(9-19(17)29)12-28-6-4-14(5-7-28)21-16-3-2-15(23)10-20(16)30-27-21/h2-3,10-11,13-14H,4-9,12H2,1H3,(H,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human 5HT2C receptor				Bioorg Med Chem Lett 19: 6059-62 (2009) Article DOI: 10.1016/j.bmcl.2009.09.041 BindingDB Entry DOI: 10.7270/Q2M046P5
					More data for this Ligand-Target Pair