BDBM50378007 CHEMBL1627315

SMILES: COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=SLERETJRSLMXIG-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50378007   

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))	BDBM50378007 (CHEMBL1627315) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50378007 (CHEMBL1627315) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50378007 (CHEMBL1627315) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)	PDB 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
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from D1 receptor				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50378007 (CHEMBL1627315) Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C25H32N4O4/c1-32-20-7-8-21-18(15-20)16-22(27-21)25(31)26-10-9-19(30)17-28-11-13-29(14-12-28)23-5-3-4-6-24(23)33-2/h3-8,15-16,19,27,30H,9-14,17H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis				J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ
					More data for this Ligand-Target Pair