null

SMILES: OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C

InChI Key: InChIKey=MGOVPNIGDPBFEZ-ZJLYAJKPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50498764   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50498764 (CHEMBL3622595) Show SMILES OC(=O)C(O)=O.CNC(=O)OC[C@H]1C[C@H]1N(C)C |r| Show InChI InChI=1S/C8H16N2O2.C2H2O4/c1-9-8(11)12-5-6-4-7(6)10(2)3;3-1(4)2(5)6/h6-7H,4-5H2,1-3H3,(H,9,11);(H,3,4)(H,5,6)/t6-,7-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b...				Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G
					More data for this Ligand-Target Pair