BDBM50166217 17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O

InChI Key: InChIKey=WOAFLDTXSHAUKV-UOUIHQBBSA-N

Data: 3 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 5 hits for monomerid = 50166217   

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))	BDBM50166217 (17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2| Show InChI InChI=1S/C24H23Cl2NO4/c1-27-10-9-23-20-13-5-6-17(28)21(20)31-22(23)18(29)7-8-24(23,19(27)11-13)30-12-14-15(25)3-2-4-16(14)26/h2-6,19,22,28H,7-12H2,1H3/t19?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10.3	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]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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50166217 (17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2| Show InChI InChI=1S/C24H23Cl2NO4/c1-27-10-9-23-20-13-5-6-17(28)21(20)31-22(23)18(29)7-8-24(23,19(27)11-13)30-12-14-15(25)3-2-4-16(14)26/h2-6,19,22,28H,7-12H2,1H3/t19?,22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33.2	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))	BDBM50166217 (17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2| Show InChI InChI=1S/C24H23Cl2NO4/c1-27-10-9-23-20-13-5-6-17(28)21(20)31-22(23)18(29)7-8-24(23,19(27)11-13)30-12-14-15(25)3-2-4-16(14)26/h2-6,19,22,28H,7-12H2,1H3/t19?,22-,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	152	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50166217 (17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2| Show InChI InChI=1S/C24H23Cl2NO4/c1-27-10-9-23-20-13-5-6-17(28)21(20)31-22(23)18(29)7-8-24(23,19(27)11-13)30-12-14-15(25)3-2-4-16(14)26/h2-6,19,22,28H,7-12H2,1H3/t19?,22-,23-,24+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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
Delta-type opioid receptor (MOUSE)	BDBM50166217 (17-(2,6-dichlorobenzyloxy)-10-hydroxy-4-methyl-(13...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1c(Cl)cccc1Cl)ccc5O |TLB:7:8:12:1.3.2,27:9:12:1.3.2| Show InChI InChI=1S/C24H23Cl2NO4/c1-27-10-9-23-20-13-5-6-17(28)21(20)31-22(23)18(29)7-8-24(23,19(27)11-13)30-12-14-15(25)3-2-4-16(14)26/h2-6,19,22,28H,7-12H2,1H3/t19?,22-,23-,24+/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	209	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