BDBM50084275 7,7-Spiro analogue ofBuprinorphine::CHEMBL31605

SMILES: CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45

InChI Key: InChIKey=BELNGJAALXEXDR-JPTYMVJOSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50084275   

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))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50084275 (7,7-Spiro analogue ofBuprinorphine | CHEMBL31605) Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27| Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells				J Med Chem 43: 139-41 (2000) BindingDB Entry DOI: 10.7270/Q2XS5W3X
					More data for this Ligand-Target Pair