Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50122535'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122535 (4,13-dibromo-16,17-dimethyl-17-azatetracyclo[7.6.2...) Show SMILES C[C@@H]1[C@@H]2C3=CC(Br)=CC[C@H]3[C@H](Cc3ccc(Br)cc23)N1C |wU:2.2,10.21,9.9,1.0,c:6,t:3,TLB:0:1:3.9:18.12.11,17:18:19.1:3.9,THB:20:19:3.9:18.12.11,8:9:19.1:18.12.11,13:12:19.1:3.9,(10.16,-3.34,;8.73,-3.89,;4.99,-2.64,;4.97,-1.1,;4.97,.44,;6.3,1.2,;6.3,2.74,;7.63,.44,;7.65,-1.1,;6.3,-1.87,;6.54,-5.74,;5,-5.74,;3.66,-4.97,;2.32,-5.74,;.99,-4.97,;.99,-3.43,;-.34,-2.66,;2.32,-2.66,;3.66,-3.43,;7.97,-5.23,;8.96,-6.4,)| Show InChI InChI=1S/C18H19Br2N/c1-10-18-15-8-12(19)4-3-11(15)7-17(21(10)2)14-6-5-13(20)9-16(14)18/h3-5,8-10,14,17-18H,6-7H2,1-2H3/t10-,14-,17+,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
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