BDBM50066358 CHEMBL2419117

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O

InChI Key: InChIKey=XCUYKLZEIGGVOF-DVUDJPSXSA-N

Data: 6 KI  2 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 8 hits for monomerid = 50066358   

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 (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay				Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN
					More data for this Ligand-Target Pair
Opioid receptors; mu and delta (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cells after 1.5 hrs				Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay				Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs				Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay				Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN
					More data for this Ligand-Target Pair
Opioid receptors; mu and delta (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from mouse delta opioid receptor expressed in CHO cells after 1.5 hrs				Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9
					More data for this Ligand-Target Pair
Opioid receptors; mu and delta (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs				Bioorg Med Chem Lett 23: 5045-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.043 BindingDB Entry DOI: 10.7270/Q2H41VC9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50066358 (CHEMBL2419117) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1C)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37N3O4/c1-33-17-21-5-3-2-4-19(21)14-23(33)29(36)32-22-10-11-31(37)25-15-20-8-9-24(35)27-26(20)30(31,28(22)38-27)12-13-34(25)16-18-6-7-18/h2-5,8-9,18,22-23,25,28,35,37H,6-7,10-17H2,1H3,(H,32,36)/t22-,23-,25+,28-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay				Bioorg Med Chem 23: 1701-15 (2015) Article DOI: 10.1016/j.bmc.2015.02.055 BindingDB Entry DOI: 10.7270/Q2PK0HTN
					More data for this Ligand-Target Pair