BDBM50176451 1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-6-hydroxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one::CHEMBL201318

SMILES: CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1

InChI Key: InChIKey=MONABEPWKHXIEW-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 = 50176451   

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))	BDBM50176451 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	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))	BDBM50176451 (1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin...) Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCN2c3cccc(O)c3CCCC2=O)CC1 Show InChI InChI=1S/C27H36F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-4-5-13-35-20-9-7-10-21(36)19(20)8-6-11-24(35)37/h7,9-10,18,36H,4-6,8,11-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	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