null

SMILES: COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=HXDLECJGRJJMFS-AZKXBNKQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170674   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50170674 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50170674 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor mu1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50170674 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Allylcarbamoyloxy-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)NCC=C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C25H31NO8/c1-5-9-26-23(30)34-17-11-16(21(28)31-4)24(2)8-6-15-22(29)33-18(14-7-10-32-13-14)12-25(15,3)20(24)19(17)27/h5,7,10,13,15-18,20H,1,6,8-9,11-12H2,2-4H3,(H,26,30)/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of [125I]- IOXY binding to human Opioid receptor delta1				J Med Chem 48: 4765-71 (2005) Article DOI: 10.1021/jm048963m BindingDB Entry DOI: 10.7270/Q2DN44KP
					More data for this Ligand-Target Pair