BDBM50250810 CHEMBL4092015

SMILES: COc1ccccc1N1CCC11CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1

InChI Key: InChIKey=DEFGNQZVXMMHQJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50250810   

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))	BDBM50250810 (CHEMBL4092015) Show SMILES COc1ccccc1N1CCC11CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 Show InChI InChI=1S/C26H33N5OS/c1-29-24(21-9-4-3-5-10-21)27-28-25(29)33-20-8-16-30-17-13-26(14-18-30)15-19-31(26)22-11-6-7-12-23(22)32-2/h3-7,9-12H,8,13-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method				J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50250810 (CHEMBL4092015) Show SMILES COc1ccccc1N1CCC11CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 Show InChI InChI=1S/C26H33N5OS/c1-29-24(21-9-4-3-5-10-21)27-28-25(29)33-20-8-16-30-17-13-26(14-18-30)15-19-31(26)22-11-6-7-12-23(22)32-2/h3-7,9-12H,8,13-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method				J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7
					More data for this Ligand-Target Pair