BDBM50414443 CHEMBL549894

SMILES: CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1

InChI Key: InChIKey=GNQOCBGVODGUEX-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50414443   

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))	BDBM50414443 (CHEMBL549894) Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry				Bioorg Med Chem Lett 19: 4011-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.028 BindingDB Entry DOI: 10.7270/Q2J67J55
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50414443 (CHEMBL549894) Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry				Bioorg Med Chem Lett 19: 4011-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.028 BindingDB Entry DOI: 10.7270/Q2J67J55
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50414443 (CHEMBL549894) Show SMILES CC(C)N1CCN(CCN2CCN(C2=O)c2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG channel by scintillation proximity assay				Bioorg Med Chem Lett 19: 4011-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.028 BindingDB Entry DOI: 10.7270/Q2J67J55
					More data for this Ligand-Target Pair