BDBM50142790 CHEMBL3759441

SMILES: O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1

InChI Key: InChIKey=HSNDKUASWXMOHD-UHFFFAOYSA-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 = 50142790   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50142790 (CHEMBL3759441) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50142790 (CHEMBL3759441) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes				Bioorg Med Chem Lett 26: 885-8 (2016) BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50142790 (CHEMBL3759441) Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O2/c32-26-19-23-24(29-26)8-5-9-25(23)31-16-14-30(15-17-31)13-4-3-12-28-27(33)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18H,3-4,12-17,19H2,(H,28,33)(H,29,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human ADRA1A receptor				Bioorg Med Chem Lett 26: 885-8 (2016) BindingDB Entry DOI: 10.7270/Q270838N
					More data for this Ligand-Target Pair