BDBM50352121 CHEMBL1824511::CHEMBL1852555

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1

InChI Key: InChIKey=DABHNIFLGYAFIA-OUBLWOLJSA-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 = 50352121   

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 (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	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 mu opioid receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 21: 5625-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.135 BindingDB Entry DOI: 10.7270/Q21J9B57
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	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 mu opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]DPN from kappa opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 21: 5625-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.135 BindingDB Entry DOI: 10.7270/Q21J9B57
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	294	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]NTI from delta opioid receptor expressed in CHO cells after 1 hr				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	294	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]-NTI from delta opioid receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 21: 5625-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.135 BindingDB Entry DOI: 10.7270/Q21J9B57
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/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	1.5	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr				Bioorg Med Chem Lett 21: 5625-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.135 BindingDB Entry DOI: 10.7270/Q21J9B57
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50352121 (CHEMBL1824511 | CHEMBL1852555) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1 |r| Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/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	1.5	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP-gammaS binding				J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK
					More data for this Ligand-Target Pair