BDBM50084276 7,7-Spiro analogue ofBuprinorphine::CHEMBL416765

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

InChI Key: InChIKey=VAGUZCYSBGOWIA-RQLPUAOISA-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 = 50084276   

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))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	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))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.870	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))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/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	6.10	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/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	11	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))	BDBM50084276 (7,7-Spiro analogue ofBuprinorphine | CHEMBL416765) Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3| Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/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	3.70	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