Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50034405'   

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))	BDBM50034405 (22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12| Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.				J Med Chem 38: 1337-43 (1995) BindingDB Entry DOI: 10.7270/Q2416W3K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50034405 (22-cyclopropylmethyl-11-(2-isothiocyanatobenzyl)-1...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1c(C[C@@]35O)c2ccccc2n1Cc1ccccc1N=C=S |TLB:23:22:18.4.5:7.13.12,THB:8:7:22:18.4.5,17:18:22:7.13.12| Show InChI InChI=1S/C34H31N3O3S/c38-27-12-11-21-15-28-34(39)16-24-23-6-2-4-8-26(23)37(18-22-5-1-3-7-25(22)35-19-41)30(24)32-33(34,29(21)31(27)40-32)13-14-36(28)17-20-9-10-20/h1-8,11-12,20,28,32,38-39H,9-10,13-18H2/t28?,32-,33?,34+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding affinity against delta2 opioid receptor using [3H]-DSLET as a radioligand in the guinea pig brain membranes.				J Med Chem 38: 1337-43 (1995) BindingDB Entry DOI: 10.7270/Q2416W3K
					More data for this Ligand-Target Pair