BDBM50031362 CHEMBL3358500

SMILES: Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1

InChI Key: InChIKey=PEJKTDOJOAMLDH-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 = 50031362   

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))	BDBM50031362 (CHEMBL3358500) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H28N4O2/c29-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-11-25-24(30)23-17-19-5-1-2-6-20(19)18-26-23/h1-2,5-10,17-18,29H,3-4,11-16H2,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor (unknown origin)				J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50031362 (CHEMBL3358500) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H28N4O2/c29-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-11-25-24(30)23-17-19-5-1-2-6-20(19)18-26-23/h1-2,5-10,17-18,29H,3-4,11-16H2,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor (unknown origin)				J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50031362 (CHEMBL3358500) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H28N4O2/c29-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-11-25-24(30)23-17-19-5-1-2-6-20(19)18-26-23/h1-2,5-10,17-18,29H,3-4,11-16H2,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor (unknown origin)				J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50031362 (CHEMBL3358500) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H28N4O2/c29-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-11-25-24(30)23-17-19-5-1-2-6-20(19)18-26-23/h1-2,5-10,17-18,29H,3-4,11-16H2,(H,25,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor (unknown origin)				J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50031362 (CHEMBL3358500) Show SMILES Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1 Show InChI InChI=1S/C24H28N4O2/c29-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-11-25-24(30)23-17-19-5-1-2-6-20(19)18-26-23/h1-2,5-10,17-18,29H,3-4,11-16H2,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin)				J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0
					More data for this Ligand-Target Pair