BDBM50027231 CHEMBL2113275

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1

InChI Key: InChIKey=HJZFHFVNSCRUMR-UITDNDJWSA-N

Data: 3 KI  1 IC50  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 6 hits for monomerid = 50027231   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/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	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/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	2	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1	PDB 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	1.60	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50027231 (CHEMBL2113275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16| Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding				J Med Chem 50: 2254-8 (2007) Article DOI: 10.1021/jm061327z BindingDB Entry DOI: 10.7270/Q2CZ3804
					More data for this Ligand-Target Pair