BDBM369488 US10231963, Table B.28::US10736890, Compound TABLE B.28

SMILES: C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21

InChI Key: InChIKey=USUBALPLEUZHID-PRSFTHDCSA-N

Data: 2 KI  2 IC50  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 5 hits for monomerid = 369488   

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))	BDBM369488 (US10231963, Table B.28 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13| Show InChI InChI=1S/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12-,13+,18+,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM369488 (US10231963, Table B.28 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13| Show InChI InChI=1S/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12-,13+,18+,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10736890 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM369488 (US10231963, Table B.28 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13| Show InChI InChI=1S/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12-,13+,18+,19-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				US Patent US10736890 (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM369488 (US10231963, Table B.28 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13| Show InChI InChI=1S/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12-,13+,18+,19-/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	2.30	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM369488 (US10231963, Table B.28 | US10736890, Compound TABL...) Show SMILES C[C@H](C1CC1)N1CC[C@@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:1:5:10:20.14.13| Show InChI InChI=1S/C19H27NO/c1-12-18-10-15-6-7-16(21)11-17(15)19(12,3)8-9-20(18)13(2)14-4-5-14/h6-7,11-14,18,21H,4-5,8-10H2,1-3H3/t12-,13+,18+,19-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2W66P26
					More data for this Ligand-Target Pair