BDBM425900 US10512644, Compound alpha-6-mPEG6-O-Morphine

SMILES: COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45

InChI Key: InChIKey=ABJKCGVOUWPJMB-HUUOXEOGSA-N

Data: 3 KI  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 5 hits for monomerid = 425900   

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))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay con...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	415	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM425900 (US10512644, Compound alpha-6-mPEG6-O-Morphine) Show SMILES COCCOCCOCCOCCOCCOCCO[C@H]1C=CC2C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r,c:21,TLB:31:39:23:37.35.36,27:26:23:37.35.36| Show InChI InChI=1S/C30H45NO9/c1-31-8-7-30-23-4-6-26(29(30)40-28-25(32)5-3-22(27(28)30)21-24(23)31)39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-2/h3-6,23-24,26,29,32H,7-21H2,1-2H3/t23?,24?,26-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.93E+3	n/a	n/a	n/a	n/a
Inheris Pharmaceuticals, Inc. US Patent					Assay Description Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xan...				US Patent US10512644 (2019) BindingDB Entry DOI: 10.7270/Q2RN3B8V
					More data for this Ligand-Target Pair