BDBM50352123 CHEMBL1824518::CHEMBL1852475

SMILES: CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=VCEXKCPFOSVMFK-XGTKUTNFSA-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 = 50352123   

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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/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	0.870	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/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	0.870	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.59E+3	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/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	5.10	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))	BDBM50352123 (CHEMBL1824518 | CHEMBL1852475) Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/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	5.10	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