BDBM50025234 CHEMBL3330664

SMILES: [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6]

InChI Key: InChIKey=XSEZBEPAXSPBEH-CGPRNCPCSA-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 = 50025234   

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))	BDBM50025234 (CHEMBL3330664) Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r| Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/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	284	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))	BDBM50025234 (CHEMBL3330664) Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r| Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	385	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))	BDBM50025234 (CHEMBL3330664) Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r| Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63E+3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50025234 (CHEMBL3330664) Show SMILES [H][C@@]12[#6]-[#6][C@@]3([#6])[#6@@H](-[#6]-[#6@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@]3([H])[C@@]1([#6])[#6]-[#6@H](-[#8]-[#6]2=O)-c1ccoc1)-[#6](=O)-[#8]-[#6] |r| Show InChI InChI=1S/C26H32O8/c1-14(2)10-20(27)33-18-11-17(23(29)31-5)25(3)8-6-16-24(30)34-19(15-7-9-32-13-15)12-26(16,4)22(25)21(18)28/h7,9-10,13,16-19,22H,6,8,11-12H2,1-5H3/t16-,17-,18-,19-,22-,25-,26-/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	698	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