BDBM50025268 CHEMBL3330674

SMILES: [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC

InChI Key: InChIKey=JZOVKOFRTQJSPO-PGVZLHRESA-N

Data: 3 KI  1 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 4 hits for monomerid = 50025268   

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))	BDBM50025268 (CHEMBL3330674) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C32H36O10/c1-31-12-10-21-30(36)42-25(19-11-13-40-17-19)16-32(21,2)28(31)27(34)24(15-22(31)29(35)39-5)41-26(33)9-7-18-6-8-20(37-3)14-23(18)38-4/h6-9,11,13-14,17,21-22,24-25,28H,10,12,15-16H2,1-5H3/b9-7+/t21-,22-,24-,25-,28-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	162	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50025268 (CHEMBL3330674) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C32H36O10/c1-31-12-10-21-30(36)42-25(19-11-13-40-17-19)16-32(21,2)28(31)27(34)24(15-22(31)29(35)39-5)41-26(33)9-7-18-6-8-20(37-3)14-23(18)38-4/h6-9,11,13-14,17,21-22,24-25,28H,10,12,15-16H2,1-5H3/b9-7+/t21-,22-,24-,25-,28-,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50025268 (CHEMBL3330674) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C32H36O10/c1-31-12-10-21-30(36)42-25(19-11-13-40-17-19)16-32(21,2)28(31)27(34)24(15-22(31)29(35)39-5)41-26(33)9-7-18-6-8-20(37-3)14-23(18)38-4/h6-9,11,13-14,17,21-22,24-25,28H,10,12,15-16H2,1-5H3/b9-7+/t21-,22-,24-,25-,28-,31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50025268 (CHEMBL3330674) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccc(OC)cc4OC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C32H36O10/c1-31-12-10-21-30(36)42-25(19-11-13-40-17-19)16-32(21,2)28(31)27(34)24(15-22(31)29(35)39-5)41-26(33)9-7-18-6-8-20(37-3)14-23(18)38-4/h6-9,11,13-14,17,21-22,24-25,28H,10,12,15-16H2,1-5H3/b9-7+/t21-,22-,24-,25-,28-,31-,32-/m0/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	27	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins				Eur J Med Chem 85: 818-29 (2014) Article DOI: 10.1016/j.ejmech.2014.07.077 BindingDB Entry DOI: 10.7270/Q2VH5QDH
					More data for this Ligand-Target Pair