BDBM50225255 CHEMBL2310924

SMILES: [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34

InChI Key: InChIKey=MVSABGMEQVNJCP-FWXNZYCQSA-N

Data: 8 IC50

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 = 50225255   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the absence of NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the absence of NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against opioid receptor using 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.				J Med Chem 27: 1718-23 (1984) BindingDB Entry DOI: 10.7270/Q2J105CX
					More data for this Ligand-Target Pair
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against opioid receptor using 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.				J Med Chem 27: 1718-23 (1984) BindingDB Entry DOI: 10.7270/Q2J105CX
					More data for this Ligand-Target Pair
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against opioid receptor using 1 nM of [3H]- Naltrexone in the absence of NaCl				J Med Chem 27: 1718-23 (1984) BindingDB Entry DOI: 10.7270/Q2J105CX
					More data for this Ligand-Target Pair
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against opioid receptor using 1 nM of [3H]- Naltrexone in the absence of NaCl				J Med Chem 27: 1718-23 (1984) BindingDB Entry DOI: 10.7270/Q2J105CX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50225255 (CHEMBL2310924) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2C)c34 |r,TLB:26:25:3.27.2:20| Show InChI InChI=1S/C21H23NO5/c1-11-10-19(27-17(11)24)5-6-21(25)14-9-12-3-4-13(23)16-15(12)20(21,18(19)26-16)7-8-22(14)2/h3-4,14,18,23,25H,1,5-10H2,2H3/t14-,18?,19?,20+,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.				J Med Chem 28: 949-57 (1985) BindingDB Entry DOI: 10.7270/Q25M67XN
					More data for this Ligand-Target Pair