BDBM50028063 CHEMBL3338874

SMILES: [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O

InChI Key: InChIKey=SMJRVISIMGPMFJ-VYJAJWGXSA-N

Data: 3 KI  3 EC50

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 = 50028063   

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))	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from guinea pig cerebellum KOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mouse whole brain MOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse whole brain DOR				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/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	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human DOR expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50028063 (CHEMBL3338874) Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r| Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human KOR expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 24: 4895-8 (2014) Article DOI: 10.1016/j.bmcl.2014.08.012 BindingDB Entry DOI: 10.7270/Q2C53NFK
					More data for this Ligand-Target Pair