BDBM50525057 CHEMBL4534961

SMILES: COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4F)n3C)CC2)CC1

InChI Key: InChIKey=KXTRJGKHZNBLEN-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 = 50525057   

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))	BDBM50525057 (CHEMBL4534961) Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4F)n3C)CC2)CC1 Show InChI InChI=1S/C28H36FN5OS/c1-32-26(22-8-3-4-9-23(22)29)30-31-27(32)36-21-7-16-33-17-12-28(13-18-33)14-19-34(20-15-28)24-10-5-6-11-25(24)35-2/h3-6,8-11H,7,12-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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))	BDBM50525057 (CHEMBL4534961) Show SMILES COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4F)n3C)CC2)CC1 Show InChI InChI=1S/C28H36FN5OS/c1-32-26(22-8-3-4-9-23(22)29)30-31-27(32)36-21-7-16-33-17-12-28(13-18-33)14-19-34(20-15-28)24-10-5-6-11-25(24)35-2/h3-6,8-11H,7,12-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.97E+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]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