BDBM50530561 CHEMBL4465596

SMILES: CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1

InChI Key: InChIKey=DNRUAPLXAOKCKK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50530561   

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))	BDBM50530561 (CHEMBL4465596) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50530561 (CHEMBL4465596) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530561 (CHEMBL4465596) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530561 (CHEMBL4465596) Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1 Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...				J Med Chem 62: 9061-9077 (2019) Article DOI: 10.1021/acs.jmedchem.9b00607
					More data for this Ligand-Target Pair