BDBM50225254 CHEMBL610531

SMILES: [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34

InChI Key: InChIKey=NSWUMSODAMAGRB-CMYGAJIDSA-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 = 50225254   

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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/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	2	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/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	5	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/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	13	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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)	BDBM50225254 (CHEMBL610531) Show SMILES [H][C@@]12Cc3ccc(O)c4OC5C6(CC(=C)C(=O)O6)CCC1(O)[C@@]5(CCN2CC1CC1)c34 |r,THB:26:25:20:30.3.2| Show InChI InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17-,21?,22?,23+,24?/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	15	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