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SMILES: [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34

InChI Key: InChIKey=IWNLIUUGJPKDCB-GRGSLBFTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50250451   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
					More data for this Ligand-Target Pair