Compile Data Set for Download or QSAR

Found 5096 hits with Last Name = 'nakamura' 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
Mu-type opioid receptor (MOUSE)	BDBM50245893 ((1'S,2S,5'S,13'R,17'S)-4'-(cyclopropylmethyl)-10',...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13| Show InChI InChI=1S/C30H34N2O5/c33-22-9-8-21-16-23-30(35)12-11-29(27(34)32(18-36-29)14-10-19-4-2-1-3-5-19)26-28(30,24(21)25(22)37-26)13-15-31(23)17-20-6-7-20/h1-5,8-9,20,23,26,33,35H,6-7,10-18H2/t23-,26+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50245893 ((1'S,2S,5'S,13'R,17'S)-4'-(cyclopropylmethyl)-10',...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13| Show InChI InChI=1S/C30H34N2O5/c33-22-9-8-21-16-23-30(35)12-11-29(27(34)32(18-36-29)14-10-19-4-2-1-3-5-19)26-28(30,24(21)25(22)37-26)13-15-31(23)17-20-6-7-20/h1-5,8-9,20,23,26,33,35H,6-7,10-18H2/t23-,26+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50245893 ((1'S,2S,5'S,13'R,17'S)-4'-(cyclopropylmethyl)-10',...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)OCN(CCc2ccccc2)C1=O |r,THB:21:22:4.18.5:7.12.13,23:22:4.18.5:7.12.13| Show InChI InChI=1S/C30H34N2O5/c33-22-9-8-21-16-23-30(35)12-11-29(27(34)32(18-36-29)14-10-19-4-2-1-3-5-19)26-28(30,24(21)25(22)37-26)13-15-31(23)17-20-6-7-20/h1-5,8-9,20,23,26,33,35H,6-7,10-18H2/t23-,26+,28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4| Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.288	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.303	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4| Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.303	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649820 (US20240043403, Example 57) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649819 (US20240043403, Example 56) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50261457 (17-(Cyclopropylmethyl)-4,6alpha-epoxymethanomorphi...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45C[C@H](CC[C@]34O)COc1c25 |r,TLB:8:7:4.24.5:19| Show InChI InChI=1S/C21H27NO3/c23-16-4-3-15-9-17-21(24)6-5-14-10-20(21,18(15)19(16)25-12-14)7-8-22(17)11-13-1-2-13/h3-4,13-14,17,23-24H,1-2,5-12H2/t14-,17-,20+,21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem 16: 4304-12 (2008) Article DOI: 10.1016/j.bmc.2008.02.082 BindingDB Entry DOI: 10.7270/Q2N017D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.14	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem 16: 4304-12 (2008) Article DOI: 10.1016/j.bmc.2008.02.082 BindingDB Entry DOI: 10.7270/Q2N017D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50261457 (17-(Cyclopropylmethyl)-4,6alpha-epoxymethanomorphi...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45C[C@H](CC[C@]34O)COc1c25 |r,TLB:8:7:4.24.5:19| Show InChI InChI=1S/C21H27NO3/c23-16-4-3-15-9-17-21(24)6-5-14-10-20(21,18(15)19(16)25-12-14)7-8-22(17)11-13-1-2-13/h3-4,13-14,17,23-24H,1-2,5-12H2/t14-,17-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in ICR mouse whole brain				Bioorg Med Chem 16: 4304-12 (2008) Article DOI: 10.1016/j.bmc.2008.02.082 BindingDB Entry DOI: 10.7270/Q2N017D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.27	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in ICR mouse whole brain				Bioorg Med Chem 16: 4304-12 (2008) Article DOI: 10.1016/j.bmc.2008.02.082 BindingDB Entry DOI: 10.7270/Q2N017D5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (MOUSE)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol kinase delta (Human)	BDBM649841 (US20240043403, Example 78) Show SMILES CN[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649857 (US20240043403, Example 94) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649881 (US20240043403, Example 118) Show SMILES CN(C)[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649849 (US20240043403, Example 125 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50097721 (CHEMBL1879790 | EN300-11843) Show SMILES CN1CCN(CC1)c1ccccc1N Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4| Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649847 (US20240043403, Example 84) Show SMILES N[C@H]1CCN2CCN(C[C@H]12)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649856 (US20240043403, Example 93) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649849 (US20240043403, Example 125 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
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Short transient receptor potential channel 6 (Homo sapiens (Human))	BDBM50273013 (CHEMBL4129456) Show SMILES [H][C@]12C[C@H]([C@H](Oc3ccc(cc3)C#N)[C@@]1(C)CCC(F)=C2)N1CCC[C@@H](N)C1 |r,c:21| Show InChI InChI=1S/C22H28FN3O/c1-22-9-8-17(23)11-16(22)12-20(26-10-2-3-18(25)14-26)21(22)27-19-6-4-15(13-24)5-7-19/h4-7,11,16,18,20-21H,2-3,8-10,12,14,25H2,1H3/t16-,18+,20+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay				Bioorg Med Chem Lett 28: 2222-2227 (2018) Article DOI: 10.1016/j.bmcl.2018.03.056 BindingDB Entry DOI: 10.7270/Q2CF9SMH
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Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649797 (US20240043403, Example 34) Show SMILES NC[C@@H]1CCCN(C1)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649809 (US20240043403, Example 46) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649792 (US20240043403, Example 122 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649846 (US20240043403, Example 83) Show SMILES CN[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649811 (US20240043403, Example 124 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(C2CCCC2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649858 (US20240043403, Example 95) Show SMILES CNC[C@@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649810 (US20240043403, Example 123 | US20240043403, Exampl...) Show SMILES CNC[C@@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649801 (US20240043403, Example 38) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649850 (US20240043403, Example 87) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649883 (US20240043403, Example 120) Show SMILES CN(C)[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649796 (US20240043403, Example 33) Show SMILES NC[C@@H]1CCCN(C1)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2Cl)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649792 (US20240043403, Example 122 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649804 (US20240043403, Example 41) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(OC2CCCC2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649803 (US20240043403, Example 40) Show SMILES CN1CCN(C[C@@H]1CN)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(OC2CCCC2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649848 (US20240043403, Example 85) Show SMILES CN[C@H]1CCN2CCN(C[C@H]12)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649840 (US20240043403, Example 77) Show SMILES N[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649811 (US20240043403, Example 124 | US20240043403, Exampl...) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(C2CCCC2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649808 (US20240043403, Example 126 | US20240043403, Exampl...) Show SMILES NC[C@]1(F)CCCN(C1)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
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Delta-type opioid receptor (MOUSE)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.41	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in ICR mouse whole brain				Bioorg Med Chem 16: 4304-12 (2008) Article DOI: 10.1016/j.bmc.2008.02.082 BindingDB Entry DOI: 10.7270/Q2N017D5
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Delta-type opioid receptor (MOUSE)	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.41	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1
					More data for this Ligand-Target Pair
Diacylglycerol kinase delta (Human)	BDBM649810 (US20240043403, Example 123 | US20240043403, Exampl...) Show SMILES CNC[C@@H]1CN(CCN1C)c1c(NC(=O)c2ccn(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649825 (US20240043403, Example 62) Show SMILES Cc1ccccc1Oc1ccc(NC(=O)c2ccn(n2)-c2ccnnc2)c(N2CCC[C@@H](CN)C2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649861 (US20240043403, Example 98) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2F)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649869 (US20240043403, Example 106) Show SMILES CNC[C@H]1CN(CCN1C)c1c(NC(=O)c2coc(n2)-c2ccnnc2)cc(F)c(Oc2ccccc2)c1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
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Diacylglycerol kinase delta (Human)	BDBM649839 (US20240043403, Example 76) Show SMILES CN[C@@H]1CCN2CCN(C[C@@H]12)c1c(NC(=O)c2coc(n2)-c2ccnnc2)ccc(Oc2ccccc2)c1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
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