BDBM50378009 CHEMBL1627313

SMILES: COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1

InChI Key: InChIKey=UAHANCCWNZGFSQ-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 = 50378009   

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))	BDBM50378009 (CHEMBL1627313) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 Show InChI InChI=1S/C24H29IN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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))	BDBM50378009 (CHEMBL1627313) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 Show InChI InChI=1S/C24H29IN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	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))	BDBM50378009 (CHEMBL1627313) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 Show InChI InChI=1S/C24H29IN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(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))	BDBM50378009 (CHEMBL1627313) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 Show InChI InChI=1S/C24H29IN4O3/c1-32-23-5-3-2-4-22(23)29-12-10-28(11-13-29)16-19(30)8-9-26-24(31)21-15-17-14-18(25)6-7-20(17)27-21/h2-7,14-15,19,27,30H,8-13,16H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	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