BDBM50176450 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-6-methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one::CHEMBL202704

SMILES: COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12

InChI Key: InChIKey=ZXIPYIPSODOSDY-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 = 50176450   

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))	BDBM50176450 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12 Show InChI InChI=1S/C28H38F3N5O2/c1-27(2,3)26-32-23(28(29,30)31)19-24(33-26)35-17-15-34(16-18-35)13-5-6-14-36-21-10-8-11-22(38-4)20(21)9-7-12-25(36)37/h8,10-11,19H,5-7,9,12-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D3 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50176450 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES COc1cccc2N(CCCCN3CCN(CC3)c3cc(nc(n3)C(C)(C)C)C(F)(F)F)C(=O)CCCc12 Show InChI InChI=1S/C28H38F3N5O2/c1-27(2,3)26-32-23(28(29,30)31)19-24(33-26)35-17-15-34(16-18-35)13-5-6-14-36-21-10-8-11-22(38-4)20(21)9-7-12-25(36)37/h8,10-11,19H,5-7,9,12-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human cloned dopamine D2 receptor				Bioorg Med Chem Lett 16: 658-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.035 BindingDB Entry DOI: 10.7270/Q2K64HN6
					More data for this Ligand-Target Pair