Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'plobeck' and Initial = 'n'   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092669 (CHEMBL129420 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cccnc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-12-10-20(11-13-21)24(29-17-15-26-16-18-29)22-9-5-7-19-8-6-14-27-23(19)22/h5-14,24,26H,3-4,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092704 (CHEMBL339898 | N,N-Diethyl-4-[piperidin-4-ylidene-...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H27F3N2O/c1-3-29(4-2)23(30)19-10-8-17(9-11-19)22(18-12-14-28-15-13-18)20-6-5-7-21(16-20)24(25,26)27/h5-11,16,28H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092711 (CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(F)c1 Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092703 (4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#6](-[#6])=O Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092710 (CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092701 (CHEMBL278078 | N,N-Diethyl-4-[(2-methoxy-phenyl)-p...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1-[#8]-[#6] Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-12-10-18(11-13-20)23(19-14-16-25-17-15-19)21-8-6-7-9-22(21)28-3/h6-13,25H,4-5,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092712 (CHEMBL126370 | N,N-Diethyl-4-[(2-fluoro-phenyl)-pi...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1F Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-11-9-17(10-12-19)22(18-13-15-25-16-14-18)20-7-5-6-8-21(20)24/h5-12,25H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092716 (CHEMBL340131 | N,N-Diethyl-4-[(3-nitro-phenyl)-pip...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(c1)-[#7+](-[#8-])=O Show InChI InChI=1S/C23H27N3O3/c1-3-25(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-24-15-13-18)20-6-5-7-21(16-20)26(28)29/h5-11,16,24H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092664 (CHEMBL126819 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-10-8-20(9-11-21)24(29-16-14-26-15-17-29)22-12-7-19-6-5-13-27-23(19)18-22/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092676 (4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12 Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092717 (CHEMBL129034 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc2ccccc12 Show InChI InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50039029 ((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092706 (CHEMBL423694 | N,N-Diethyl-4-[(3-methoxy-phenyl)-p...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#8]-[#6])c1 Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092715 (CHEMBL339922 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092714 (CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092702 (CHEMBL129693 | N,N-Diethyl-4-[(4-methylsulfanyl-ph...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(-[#16]-[#6])cc1 Show InChI InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092719 (4-[(3,4-Dichloro-phenyl)-piperidin-4-ylidene-methy...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H26Cl2N2O/c1-3-27(4-2)23(28)18-7-5-16(6-8-18)22(17-11-13-26-14-12-17)19-9-10-20(24)21(25)15-19/h5-10,15,26H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092680 (CHEMBL125734 | N,N-Diethyl-4-(naphthalen-1-yl-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2ccccc12 Show InChI InChI=1S/C26H31N3O/c1-3-28(4-2)26(30)22-14-12-21(13-15-22)25(29-18-16-27-17-19-29)24-11-7-9-20-8-5-6-10-23(20)24/h5-15,25,27H,3-4,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092698 (4-[(3-Amino-phenyl)-piperidin-4-ylidene-methyl]-N,...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1cccc(-[#7])c1 Show InChI InChI=1S/C23H29N3O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15,24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092720 (CHEMBL129315 | N,N-Diethyl-4-(piperidin-4-ylidene-...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092700 (4-[(1-Allyl-piperidin-4-ylidene)-phenyl-methyl]-N,...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]=[#6])-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C26H32N2O/c1-4-18-27-19-16-23(17-20-27)25(21-10-8-7-9-11-21)22-12-14-24(15-13-22)26(29)28(5-2)6-3/h4,7-15H,1,5-6,16-20H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178827 ((+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyri...) Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1 Show InChI InChI=1S/C21H19FN4O2/c22-17-1-3-18(4-2-17)25-19-11-14(5-8-23-19)15-6-9-24-20(12-15)26-21(27)16-7-10-28-13-16/h1-6,8-9,11-12,16H,7,10,13H2,(H,23,25)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178827 ((+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyri...) Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1 Show InChI InChI=1S/C21H19FN4O2/c22-17-1-3-18(4-2-17)25-19-11-14(5-8-23-19)15-6-9-24-20(12-15)26-21(27)16-7-10-28-13-16/h1-6,8-9,11-12,16H,7,10,13H2,(H,23,25)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092683 (CHEMBL126366 | N,N-Diethyl-4-(isoquinolin-5-yl-pip...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092709 (4-[(4-Chloro-phenyl)-piperidin-4-ylidene-methyl]-N...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(Cl)cc1 Show InChI InChI=1S/C23H27ClN2O/c1-3-26(4-2)23(27)20-7-5-17(6-8-20)22(19-13-15-25-16-14-19)18-9-11-21(24)12-10-18/h5-12,25H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092665 (CHEMBL340834 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc(F)c1 Show InChI InChI=1S/C22H28FN3O/c1-3-25(4-2)22(27)18-10-8-17(9-11-18)21(26-14-12-24-13-15-26)19-6-5-7-20(23)16-19/h5-11,16,21,24H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178843 ((3R)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin...) Show SMILES CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178830 (CHEMBL205078 | N-(4-(2-(4-fluorophenylamino)pyridi...) Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1 Show InChI InChI=1S/C22H21FN4O2/c23-18-1-3-19(4-2-18)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-22(28)15-7-11-29-12-8-15/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,26)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092718 (4-[(1-Butyl-piperidin-4-ylidene)-phenyl-methyl]-N,...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(cc1)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] Show InChI InChI=1S/C27H36N2O/c1-4-7-19-28-20-17-24(18-21-28)26(22-11-9-8-10-12-22)23-13-15-25(16-14-23)27(30)29(5-2)6-3/h8-16H,4-7,17-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50023913 (CHEMBL2112649) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C24H30N4O/c1-3-27(4-2)24(29)20-8-6-19(7-9-20)23(28-15-13-25-14-16-28)21-10-5-18-11-12-26-22(18)17-21/h5-12,17,23,25-26H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178832 (CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...) Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1 Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092673 (CHEMBL126223 | N,N-Diethyl-4-(naphthalen-2-yl-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H31N3O/c1-3-28(4-2)26(30)22-12-10-21(11-13-22)25(29-17-15-27-16-18-29)24-14-9-20-7-5-6-8-23(20)19-24/h5-14,19,25,27H,3-4,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50419871 (CHEMBL1957483) Show SMILES NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |r,t:1,4| Show InChI InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs				Bioorg Med Chem Lett 22: 1854-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178836 (CHEMBL203059 | N-(4-(2-(phenylamino)pyridin-4-yl)p...) Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1 Show InChI InChI=1S/C22H22N4O2/c27-22(16-8-12-28-13-9-16)26-21-15-18(7-11-24-21)17-6-10-23-20(14-17)25-19-4-2-1-3-5-19/h1-7,10-11,14-16H,8-9,12-13H2,(H,23,25)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092661 (CHEMBL127638 | N,N-Diethyl-4-[(4-methoxy-phenyl)-p...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(OC)cc1 Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(27)20-8-6-18(7-9-20)22(26-16-14-24-15-17-26)19-10-12-21(28-3)13-11-19/h6-13,22,24H,4-5,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092681 (CHEMBL127434 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-18-26(4,5)27-17-19(29)3/h9-16,19,24,27H,7-8,17-18H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092688 (CHEMBL128005 | N,N-Diethyl-4-(piperazin-1-yl-p-tol...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc(C)cc1 Show InChI InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-12-10-20(11-13-21)22(26-16-14-24-15-17-26)19-8-6-18(3)7-9-19/h6-13,22,24H,4-5,14-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092668 (CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092668 (CHEMBL126382 | N,N-Diethyl-4-(phenyl-piperidin-4-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C23H30N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,20,22,24H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178846 (1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin...) Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1 Show InChI InChI=1S/C24H25N5O2/c1-17(30)29-13-5-6-20(16-29)24(31)28-23-15-19(10-12-26-23)18-9-11-25-22(14-18)27-21-7-3-2-4-8-21/h2-4,7-12,14-15,20H,5-6,13,16H2,1H3,(H,25,27)(H,26,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092708 (4-[(1-Cyclopropylmethyl-piperidin-4-ylidene)-pheny...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-3-29(4-2)27(30)25-14-12-23(13-15-25)26(22-8-6-5-7-9-22)24-16-18-28(19-17-24)20-21-10-11-21/h5-9,12-15,21H,3-4,10-11,16-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50178842 ((3S)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin...) Show SMILES CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description Inhibition of JNK3				Bioorg Med Chem Lett 16: 1397-401 (2006) Article DOI: 10.1016/j.bmcl.2005.11.039 BindingDB Entry DOI: 10.7270/Q2KP81R3
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50084251 (CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50084251 (CHEMBL338980 | N,N-Diethyl-4-(phenyl-piperazin-1-y...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50419858 (CHEMBL1957481) Show SMILES COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:14,23| Show InChI InChI=1S/C24H22F4N4O2/c1-33-12-3-2-5-16-6-4-7-18(13-16)24(17-8-10-19(11-9-17)34-21(25)26)20-30-14-23(27,28)15-32(20)22(29)31-24/h4,6-11,13,21H,3,12,14-15H2,1H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs				Bioorg Med Chem Lett 22: 1854-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50419864 (CHEMBL1957476) Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H18F5N5O/c25-19-18(5-2-10-31-19)14-3-1-4-16(11-14)24(15-6-8-17(9-7-15)35-21(26)27)20-32-12-23(28,29)13-34(20)22(30)33-24/h1-11,21H,12-13H2,(H2,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs				Bioorg Med Chem Lett 22: 1854-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50419863 (CHEMBL1957475) Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:17,26| Show InChI InChI=1S/C25H21F4N5O2/c1-35-20-10-16(11-31-12-20)15-3-2-4-18(9-15)25(17-5-7-19(8-6-17)36-22(26)27)21-32-13-24(28,29)14-34(21)23(30)33-25/h2-12,22H,13-14H2,1H3,(H2,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b...				Bioorg Med Chem Lett 22: 1854-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93
					More data for this Ligand-Target Pair

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