BDBM50314879 CHEMBL1091995::N-formylnormorphine

SMILES: O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45

InChI Key: InChIKey=LVAYTHPNGILWPF-KBQPJGBKSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50314879   

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 (Cavia porcellus (domestic guinea pig))	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membranes				Bioorg Med Chem 22: 4581-6 (2014) Article DOI: 10.1016/j.bmc.2014.07.033 BindingDB Entry DOI: 10.7270/Q2P270WT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				J Med Chem 53: 2875-81 (2010) Article DOI: 10.1021/jm9019068 BindingDB Entry DOI: 10.7270/Q21G0N7R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/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	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				J Med Chem 53: 2875-81 (2010) Article DOI: 10.1021/jm9019068 BindingDB Entry DOI: 10.7270/Q21G0N7R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes				Bioorg Med Chem 22: 4581-6 (2014) Article DOI: 10.1016/j.bmc.2014.07.033 BindingDB Entry DOI: 10.7270/Q2P270WT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes				Bioorg Med Chem 22: 4581-6 (2014) Article DOI: 10.1016/j.bmc.2014.07.033 BindingDB Entry DOI: 10.7270/Q2P270WT
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50314879 (CHEMBL1091995 | N-formylnormorphine) Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2| Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 22: 4581-6 (2014) Article DOI: 10.1016/j.bmc.2014.07.033 BindingDB Entry DOI: 10.7270/Q2P270WT
					More data for this Ligand-Target Pair