Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'jakob' and Initial = 'a'   

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))	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))	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))	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
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))	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
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))	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))	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
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
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))	BDBM50092707 (CHEMBL126946 | N,N-Diethyl-4-[(4-fluoro-phenyl)-pi...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN2O/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	15	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))	BDBM50092699 (CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3	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	27	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))	BDBM50092721 (4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3	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	36	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))	BDBM50092705 (4-[(2,6-Dimethyl-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)\c1c(-[#6])cccc1-[#6] Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3	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	187	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))	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 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	320	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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522790 (CHEMBL3741422) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H44N8O5/c35-20-8-7-14-27(41-32(45)28(15-9-21-39-34(37)38)40-31(44)25-12-5-2-6-13-25)33(46)42-29(30(36)43)24-16-18-26(19-17-24)47-22-23-10-3-1-4-11-23/h1-6,10-13,16-19,27-29H,7-9,14-15,20-22,35H2,(H2,36,43)(H,40,44)(H,41,45)(H,42,46)(H4,37,38,39)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50092721 (4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	597	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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522792 (CHEMBL4469272) Show SMILES C[C@](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092713 (CHEMBL338089 | N,N-Diethyl-4-[phenyl-(1-phenyl-pip...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C29H32N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5-18H,3-4,19-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	736	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
Genome polyprotein (West Nile virus)	BDBM50522790 (CHEMBL3741422) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H44N8O5/c35-20-8-7-14-27(41-32(45)28(15-9-21-39-34(37)38)40-31(44)25-12-5-2-6-13-25)33(46)42-29(30(36)43)24-16-18-26(19-17-24)47-22-23-10-3-1-4-11-23/h1-6,10-13,16-19,27-29H,7-9,14-15,20-22,35H2,(H2,36,43)(H,40,44)(H,41,45)(H,42,46)(H4,37,38,39)/t27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate a...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Mu-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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	817	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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Kappa-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	980	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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] 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))	BDBM50092705 (4-[(2,6-Dimethyl-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)\c1c(-[#6])cccc1-[#6] Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.02E+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 mu 1 in human HEK293S cells using [125I]FK33824 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.03E+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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522787 (CHEMBL4464884) Show SMILES CC(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092721 (4-[(1-Cyclohexyl-piperidin-4-ylidene)-phenyl-methy...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccccc1 Show InChI InChI=1S/C29H38N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5,7-8,11-12,15-18,27H,3-4,6,9-10,13-14,19-22H2,1-2H3	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	1.33E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.51E+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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522793 (CHEMBL4545026) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H46N8O5/c1-43(34(47)26-13-6-3-7-14-26)29(16-10-22-40-35(38)39)33(46)41-28(15-8-9-21-36)32(45)42-30(31(37)44)25-17-19-27(20-18-25)48-23-24-11-4-2-5-12-24/h2-7,11-14,17-20,28-30H,8-10,15-16,21-23,36H2,1H3,(H2,37,44)(H,41,46)(H,42,45)(H4,38,39,40)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Kappa-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	1.66E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Kappa-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	2.29E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Kappa-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	2.48E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.59E+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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092705 (4-[(2,6-Dimethyl-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)\c1c(-[#6])cccc1-[#6] Show InChI InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3	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	2.61E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.74E+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 mu 1 in human HEK293S cells using [125I]FK33824 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.98E+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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50522789 (CHEMBL4474101) Show SMILES CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@](C)(C(N)=O)c1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H42N8O4/c1-29(27(31)41,21-14-7-4-8-15-21)36-24(38)22(16-9-10-18-30)35-25(39)23(17-11-19-34-28(32)33)37(2)26(40)20-12-5-3-6-13-20/h3-8,12-15,22-23H,9-11,16-19,30H2,1-2H3,(H2,31,41)(H,35,39)(H,36,38)(H4,32,33,34)/t22-,23-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092713 (CHEMBL338089 | N,N-Diethyl-4-[phenyl-(1-phenyl-pip...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C29H32N2O/c1-3-30(4-2)29(32)26-17-15-24(16-18-26)28(23-11-7-5-8-12-23)25-19-21-31(22-20-25)27-13-9-6-10-14-27/h5-18H,3-4,19-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.16E+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 kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] 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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.29E+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 mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.				J Med Chem 43: 3895-905 (2000) BindingDB Entry DOI: 10.7270/Q2KW5F95
					More data for this Ligand-Target Pair

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