BDBM50007521 5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmethyl]-2,3-dimethoxy-benzamide (NCQ115)::CHEMBL1204286::CHEMBL73683

SMILES: COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC

InChI Key: InChIKey=OHMIBGFTDCPQGJ-KRWDZBQOSA-N

Data: 1 KI  1 IC50

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 = 50007521   

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 (Rattus norvegicus (rat))	BDBM50007521 (5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmeth...) Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition constant against dopamine receptor D2 in rat				J Med Chem 36: 221-8 (1993) BindingDB Entry DOI: 10.7270/Q2TT4Q10
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007521 (5-Bromo-N-[1-(4-fluoro-benzyl)-pyrrolidin-2-ylmeth...) Show SMILES COc1cc(Br)cc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)c1OC Show InChI InChI=1S/C21H24BrFN2O3/c1-27-19-11-15(22)10-18(20(19)28-2)21(26)24-12-17-4-3-9-25(17)13-14-5-7-16(23)8-6-14/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Astra Research Centre AB Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro				J Med Chem 34: 948-55 (1991) BindingDB Entry DOI: 10.7270/Q2GT5NS9
					More data for this Ligand-Target Pair