Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'abolin' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50176258 (3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176258 (3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176258 (3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176259 ((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...) Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
					More data for this Ligand-Target Pair