BDBM50021802 CHEMBL3299096

SMILES: COc1ccccc1N1CCN(CCCCCNC(=O)OC(C)(C)C)CC1

InChI Key: InChIKey=VKNBNIUPOKNKDJ-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50021802   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50021802 (CHEMBL3299096) Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C21H35N3O3/c1-21(2,3)27-20(25)22-12-8-5-9-13-23-14-16-24(17-15-23)18-10-6-7-11-19(18)26-4/h6-7,10-11H,5,8-9,12-17H2,1-4H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis				J Med Chem 57: 4924-39 (2014) Article DOI: 10.1021/jm500457x BindingDB Entry DOI: 10.7270/Q29Z96FS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50021802 (CHEMBL3299096) Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C21H35N3O3/c1-21(2,3)27-20(25)22-12-8-5-9-13-23-14-16-24(17-15-23)18-10-6-7-11-19(18)26-4/h6-7,10-11H,5,8-9,12-17H2,1-4H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Partial agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as induction of ERK1/2 phosphorylation by AlphaScreen assay				J Med Chem 57: 4924-39 (2014) Article DOI: 10.1021/jm500457x BindingDB Entry DOI: 10.7270/Q29Z96FS
					More data for this Ligand-Target Pair