BDBM50525050 CHEMBL4466055

SMILES: COc1ccccc1N1CCC2(CCN(CCCCSc3nnc(-c4ccccc4)n3C)CC2)CC1

InChI Key: InChIKey=IMPOGCXTOZKPHA-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 = 50525050   

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))	BDBM50525050 (CHEMBL4466055) Show SMILES COc1ccccc1N1CCC2(CCN(CCCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 Show InChI InChI=1S/C29H39N5OS/c1-32-27(24-10-4-3-5-11-24)30-31-28(32)36-23-9-8-18-33-19-14-29(15-20-33)16-21-34(22-17-29)25-12-6-7-13-26(25)35-2/h3-7,10-13H,8-9,14-23H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	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]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50525050 (CHEMBL4466055) Show SMILES COc1ccccc1N1CCC2(CCN(CCCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 Show InChI InChI=1S/C29H39N5OS/c1-32-27(24-10-4-3-5-11-24)30-31-28(32)36-23-9-8-18-33-19-14-29(15-20-33)16-21-34(22-17-29)25-12-6-7-13-26(25)35-2/h3-7,10-13H,8-9,14-23H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.25E+3	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]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
					More data for this Ligand-Target Pair