Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50021493'   

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))	BDBM50021493 (1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...) Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:73:72:56:77.60.59,THB:9:8:16:4.5.6| Show InChI InChI=1S/C56H72N10O14/c67-35-7-5-31-19-37-55(77)13-11-33(51-53(55,47(31)49(35)79-51)15-17-65(37)27-29-1-2-29)63-45(75)25-61-43(73)23-59-41(71)21-57-39(69)9-10-40(70)58-22-42(72)60-24-44(74)62-26-46(76)64-34-12-14-56(78)38-20-32-6-8-36(68)50-48(32)54(56,52(34)80-50)16-18-66(38)28-30-3-4-30/h5-8,29-30,33-34,37-38,51-52,67-68,77-78H,1-4,9-28H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)/t33-,34-,37?,38?,51+,52+,53?,54?,55-,56-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-EK from Opioid receptor delta 1 in guinea pig brain membrane				J Med Chem 29: 1855-61 (1986) BindingDB Entry DOI: 10.7270/Q21Z43DQ
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