Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50199862'   

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 (Rattus norvegicus (rat))	BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) Show SMILES Oc1ccc(C[C@H](NCC=C)C(=O)NCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)cc1 Show InChI InChI=1S/C30H42N4O4/c1-3-17-31-27(21-23-9-13-25(35)14-10-23)29(37)33-19-7-5-6-8-20-34-30(38)28(32-18-4-2)22-24-11-15-26(36)16-12-24/h3-4,9-16,27-28,31-32,35-36H,1-2,5-8,17-22H2,(H,33,37)(H,34,38)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50199862 ((S)-2-allylamino-N-{6-[(S)-2-allylamino-3-(4-hydro...) Show SMILES Oc1ccc(C[C@H](NCC=C)C(=O)NCCCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)cc1 Show InChI InChI=1S/C30H42N4O4/c1-3-17-31-27(21-23-9-13-25(35)14-10-23)29(37)33-19-7-5-6-8-20-34-30(38)28(32-18-4-2)22-24-11-15-26(36)16-12-24/h3-4,9-16,27-28,31-32,35-36H,1-2,5-8,17-22H2,(H,33,37)(H,34,38)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions				Bioorg Med Chem 15: 1237-51 (2007) Article DOI: 10.1016/j.bmc.2006.11.019 BindingDB Entry DOI: 10.7270/Q2348K1F
					More data for this Ligand-Target Pair