BDBM50127165 10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one

SMILES: CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O

InChI Key: InChIKey=DENICFHULARDRG-IKJNLRRPSA-N

Data: 6 KI  2 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 8 hits for monomerid = 50127165   

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 (Rattus norvegicus (rat))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranes				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin II				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593				J Med Chem 46: 1758-63 (2003) Article DOI: 10.1021/jm021118o BindingDB Entry DOI: 10.7270/Q2V125JQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.4	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description In vitro agonistic activity against opioid receptor delta of mouse vas deferens				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50127165 (10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...) Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17| Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13?,17-,18-,19+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
University La Sapienza Curated by ChEMBL					Assay Description In vitro agonistic activity against opioid receptor mu of guinea pig ileum				J Med Chem 48: 3372-8 (2005) Article DOI: 10.1021/jm040894o BindingDB Entry DOI: 10.7270/Q2X92C3R
					More data for this Ligand-Target Pair