Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'okazaki' and Initial = 's'   

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
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50428854 (CHEMBL1236924) Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 Show InChI InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from PPARgamma (unknown origin)				Bioorg Med Chem 24: 5455-5461 (2016) Article DOI: 10.1016/j.bmc.2016.08.067 BindingDB Entry DOI: 10.7270/Q21V5JGB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247432 (US9453021, 39) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(CCCN(C)C)c3=O)C2=O Show InChI InChI=1S/C25H32N8O2/c1-4-26-25-27-14-19-22(29-25)32-13-6-8-17(32)15-33(24(19)35)20-10-5-9-18-21(20)28-16-31(23(18)34)12-7-11-30(2)3/h5,9-10,14,16-17H,4,6-8,11-13,15H2,1-3H3,(H,26,27,29)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247431 (US9453021, 38) Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(CCCN(C)C)c3=O)C2=O Show InChI InChI=1S/C24H30N8O2/c1-25-24-26-13-18-21(28-24)31-12-5-7-16(31)14-32(23(18)34)19-9-4-8-17-20(19)27-15-30(22(17)33)11-6-10-29(2)3/h4,8-9,13,15-16H,5-7,10-12,14H2,1-3H3,(H,25,26,28)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50180193 (AZD-2624 | AZD2624) Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method				Bioorg Med Chem 24: 3494-500 (2016) Article DOI: 10.1016/j.bmc.2016.05.054 BindingDB Entry DOI: 10.7270/Q2RR216W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247426 (US9453021, 10) Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(C)c3=O)C2=O Show InChI InChI=1S/C20H21N7O2/c1-21-20-22-9-14-17(24-20)26-8-4-5-12(26)10-27(19(14)29)15-7-3-6-13-16(15)23-11-25(2)18(13)28/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,22,24)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247427 (US9453021, 11) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(C)n(C)c3=O)C2=O Show InChI InChI=1S/C22H25N7O2/c1-4-23-22-24-11-16-19(26-22)28-10-6-7-14(28)12-29(21(16)31)17-9-5-8-15-18(17)25-13(2)27(3)20(15)30/h5,8-9,11,14H,4,6-7,10,12H2,1-3H3,(H,23,24,26)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247439 (US9453021, 113) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1c[nH]c3ncn(C)c(=O)c13)C2=O Show InChI InChI=1S/C19H22N8O2/c1-3-20-19-22-7-12-16(24-19)26-6-4-5-11(26)9-27(17(12)28)13-8-21-15-14(13)18(29)25(2)10-23-15/h7-8,10-11,21H,3-6,9H2,1-2H3,(H,20,22,24)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247424 (US9453021, 7) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)c(C)c3=O)C2=O Show InChI InChI=1S/C22H25N7O2/c1-4-23-22-24-11-16-18(26-22)27-9-5-7-15(27)12-29(21(16)31)17-8-6-10-28-19(17)25-14(3)13(2)20(28)30/h6,8,10-11,15H,4-5,7,9,12H2,1-3H3,(H,23,24,26)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247436 (US9453021, 71) Show SMILES CCCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(C)c3=O)C2=O Show InChI InChI=1S/C22H25N7O2/c1-3-9-23-22-24-11-16-19(26-22)28-10-5-6-14(28)12-29(21(16)31)17-8-4-7-15-18(17)25-13-27(2)20(15)30/h4,7-8,11,13-14H,3,5-6,9-10,12H2,1-2H3,(H,23,24,26)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247437 (US9453021, 97) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1scc3c1ncn(C)c3=O)C2=O Show InChI InChI=1S/C19H21N7O2S/c1-3-20-19-21-7-12-15(23-19)25-6-4-5-11(25)8-26(17(12)28)18-14-13(9-29-18)16(27)24(2)10-22-14/h7,9-11H,3-6,8H2,1-2H3,(H,20,21,23)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430145 (CHEMBL2338266) Show SMILES CC1(C)CN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c2C1)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(30.58,-17.72,;30.19,-19.21,;31.67,-18.81,;31.12,-20.44,;30.75,-21.94,;31.93,-22.93,;33.32,-22.33,;34.37,-23.56,;34.38,-25.15,;32.98,-25.72,;31.95,-24.46,;33.35,-24.79,;34.68,-24.29,;36.21,-24.27,;35.89,-25.55,;34.67,-22.8,;29.35,-22.57,;29.31,-24.11,;27.97,-21.87,;26.63,-22.62,;25.49,-21.59,;26.13,-20.18,;27.67,-20.35,;28.66,-19.17,;25.37,-18.85,;26.16,-17.52,;25.4,-16.18,;23.86,-16.16,;23.08,-17.5,;23.84,-18.84,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)13-21-20(14-26-28(21)19-6-4-3-5-7-19)23(29)27(15-24)22-17-8-16-9-18(22)12-25(30,10-16)11-17/h3-7,14,16-18,22,30H,8-13,15H2,1-2H3/t16?,17?,18?,22-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247438 (US9453021, 112) Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1c[nH]c3ncn(C)c(=O)c13)C2=O Show InChI InChI=1S/C18H20N8O2/c1-19-18-21-6-11-15(23-18)25-5-3-4-10(25)8-26(16(11)27)12-7-20-14-13(12)17(28)24(2)9-22-14/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,19,21,23)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247434 (US9453021, 65) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(COC)n(C)c3=O)C2=O Show InChI InChI=1S/C23H27N7O3/c1-4-24-23-25-11-16-20(27-23)29-10-6-7-14(29)12-30(22(16)32)17-9-5-8-15-19(17)26-18(13-33-3)28(2)21(15)31/h5,8-9,11,14H,4,6-7,10,12-13H2,1-3H3,(H,24,25,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430135 (CHEMBL2338251) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccc(F)cc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(10.24,-45.05,;10.87,-46.46,;11.26,-44.96,;12.4,-46.5,;13.34,-47.73,;12.96,-49.22,;14.14,-50.21,;15.53,-49.62,;16.58,-50.84,;16.59,-52.43,;15.19,-53,;14.17,-51.74,;15.57,-52.07,;16.89,-51.57,;18.42,-51.55,;18.1,-52.83,;16.88,-50.08,;11.56,-49.85,;11.52,-51.39,;10.19,-49.15,;8.84,-49.91,;7.71,-48.87,;8.35,-47.46,;9.88,-47.64,;7.59,-46.13,;8.37,-44.8,;7.61,-43.46,;6.07,-43.45,;5.31,-42.11,;5.29,-44.79,;6.05,-46.12,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)7-8-28(21-16-9-15-10-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-18(26)4-6-19/h3-6,14-17,21,31H,7-13H2,1-2H3/t15?,16?,17?,21-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50180171 (CHEMBL3813763) Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1 |r| Show InChI InChI=1S/C26H25N3O4S/c1-3-20(17-11-5-4-6-12-17)28-26(31)23-18-13-7-9-15-21(18)27-24(25(23)29-34(2,32)33)19-14-8-10-16-22(19)30/h4-16,20,29-30H,3H2,1-2H3,(H,28,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method				Bioorg Med Chem 24: 3494-500 (2016) Article DOI: 10.1016/j.bmc.2016.05.054 BindingDB Entry DOI: 10.7270/Q2RR216W
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247429 (US9453021, 15) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3ncn(C)c(=O)c13)C2=O Show InChI InChI=1S/C21H23N7O2/c1-3-22-21-23-10-14-18(25-21)27-9-5-6-13(27)11-28(19(14)29)16-8-4-7-15-17(16)20(30)26(2)12-24-15/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,22,23,25)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247428 (US9453021, 14) Show SMILES CCn1cnc2c(cccc2c1=O)N1C[C@@H]2CCCN2c2nc(NC)ncc2C1=O Show InChI InChI=1S/C21H23N7O2/c1-3-26-12-24-17-14(19(26)29)7-4-8-16(17)28-11-13-6-5-9-27(13)18-15(20(28)30)10-23-21(22-2)25-18/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,22,23,25)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247435 (US9453021, 68) Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cncc3c1ncn(C)c3=O)C2=O Show InChI InChI=1S/C19H20N8O2/c1-20-19-22-7-13-16(24-19)26-5-3-4-11(26)9-27(18(13)29)14-8-21-6-12-15(14)23-10-25(2)17(12)28/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,22,24)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144654 (CHEMBL3760043) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nc1)C(O)=O Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)11-4-7-13(16(22)23)18-8-11/h2-9H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247425 (US9453021, 8) Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)c(C)c3=O)C2=O Show InChI InChI=1S/C21H23N7O2/c1-12-13(2)24-18-16(7-5-9-27(18)19(12)29)28-11-14-6-4-8-26(14)17-15(20(28)30)10-23-21(22-3)25-17/h5,7,9-10,14H,4,6,8,11H2,1-3H3,(H,22,23,25)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247433 (US9453021, 59) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(C)n(CCF)c3=O)C2=O Show InChI InChI=1S/C23H26FN7O2/c1-3-25-23-26-12-17-20(28-23)30-10-5-6-15(30)13-31(22(17)33)18-8-4-7-16-19(18)27-14(2)29(11-9-24)21(16)32/h4,7-8,12,15H,3,5-6,9-11,13H2,1-2H3,(H,25,26,28)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247430 (US9453021, 17) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ccn(C)c3=O)C2=O Show InChI InChI=1S/C22H24N6O2/c1-3-23-22-24-12-17-19(25-22)27-10-5-6-14(27)13-28(21(17)30)18-8-4-7-16-15(18)9-11-26(2)20(16)29/h4,7-9,11-12,14H,3,5-6,10,13H2,1-2H3,(H,23,24,25)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/delta (Rattus norvegicus (Rat))	BDBM247423 (US9453021, 3) Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)cc3=O)C2=O Show InChI InChI=1S/C21H23N7O2/c1-3-22-21-23-11-15-18(25-21)26-8-4-6-14(26)12-28(20(15)30)16-7-5-9-27-17(29)10-13(2)24-19(16)27/h5,7,9-11,14H,3-4,6,8,12H2,1-2H3,(H,22,23,25)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	25
Kyowa Hakko Kirin Co., Ltd. US Patent					Assay Description A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...				US Patent US9453021 (2016) BindingDB Entry DOI: 10.7270/Q2251H4B
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430139 (CHEMBL2338247) Show SMILES Cc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(7.11,-16.96,;7.87,-18.3,;9.41,-18.31,;10.17,-19.65,;9.38,-20.98,;7.85,-20.97,;7.09,-19.63,;10.14,-22.31,;9.5,-23.71,;10.64,-24.75,;11.98,-24,;11.68,-22.48,;12.67,-21.3,;12.03,-19.9,;13.06,-19.8,;14.2,-21.34,;15.13,-22.57,;14.76,-24.06,;15.94,-25.05,;17.33,-24.46,;18.38,-25.69,;18.39,-27.27,;16.99,-27.85,;15.96,-26.58,;17.36,-26.92,;18.68,-26.41,;20.22,-26.39,;19.89,-27.68,;18.68,-24.93,;13.36,-24.69,;13.32,-26.23,)| Show InChI InChI=1S/C26H33N3O2/c1-16-4-6-20(7-5-16)29-23-21(15-27-29)24(30)28(9-8-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-7,15,17-19,22,31H,8-14H2,1-3H3/t17?,18?,19?,22-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50180169 (CHEMBL3814787) Show SMILES CC[C@H](NC(=O)c1c(S)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2OS/c1-2-20(17-11-5-3-6-12-17)27-25(28)22-19-15-9-10-16-21(19)26-23(24(22)29)18-13-7-4-8-14-18/h3-16,20,29H,2H2,1H3,(H,27,28)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method				Bioorg Med Chem 24: 3494-500 (2016) Article DOI: 10.1016/j.bmc.2016.05.054 BindingDB Entry DOI: 10.7270/Q2RR216W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50180174 (CHEMBL3813719) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O3/c1-2-19(16-10-4-3-5-11-16)27-25(30)22-17-12-6-8-14-20(17)26-23(24(22)29)18-13-7-9-15-21(18)28/h3-15,19,28-29H,2H2,1H3,(H,27,30)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method				Bioorg Med Chem 24: 3494-500 (2016) Article DOI: 10.1016/j.bmc.2016.05.054 BindingDB Entry DOI: 10.7270/Q2RR216W
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430136 (CHEMBL2338250) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(F)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(30.53,-32.58,;31.16,-33.98,;31.55,-32.48,;32.69,-34.02,;33.63,-35.25,;33.26,-36.74,;34.43,-37.73,;35.83,-37.14,;36.88,-38.37,;36.88,-39.95,;35.48,-40.53,;34.46,-39.26,;35.86,-39.59,;37.18,-39.09,;38.71,-39.07,;38.39,-40.36,;37.18,-37.61,;31.85,-37.37,;31.82,-38.91,;30.48,-36.68,;29.13,-37.43,;28,-36.39,;28.64,-34.99,;30.17,-35.16,;27.88,-33.65,;28.66,-32.33,;27.91,-30.99,;26.37,-30.97,;25.58,-32.31,;24.04,-32.3,;26.35,-33.64,)| Show InChI InChI=1S/C25H30FN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50430140 (CHEMBL2338246) Show SMILES Cc1cccc(c1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(23.2,-5.1,;24.74,-5.11,;25.52,-3.77,;27.06,-3.79,;27.82,-5.13,;27.03,-6.45,;25.5,-6.45,;27.79,-7.79,;27.15,-9.19,;28.28,-10.23,;29.63,-9.48,;29.32,-7.96,;30.31,-6.78,;29.68,-5.38,;30.71,-5.28,;31.85,-6.82,;32.78,-8.05,;32.41,-9.54,;33.59,-10.53,;34.98,-9.94,;36.03,-11.17,;36.04,-12.75,;34.64,-13.33,;33.61,-12.06,;35.01,-12.4,;36.33,-11.89,;37.87,-11.87,;37.54,-13.16,;36.33,-10.41,;31.01,-10.17,;30.97,-11.71,)| Show InChI InChI=1S/C26H33N3O2/c1-16-5-4-6-20(9-16)29-23-21(15-27-29)24(30)28(8-7-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-6,9,15,17-19,22,31H,7-8,10-14H2,1-3H3/t17?,18?,19?,22-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50430141 (CHEMBL2338245) Show SMILES Cc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:18.19,25.28,TLB:22:21:28:24.23.18,22:23:27.21.20:28,18:19:27:24.22.23,THB:18:23:27:20.19.28,17:18:27.21.20:28,(6.79,-8.68,;7.57,-7.35,;6.81,-6.01,;7.59,-4.68,;9.13,-4.69,;9.89,-6.03,;9.11,-7.36,;9.86,-8.69,;9.22,-10.1,;10.36,-11.13,;11.7,-10.38,;11.4,-8.86,;12.39,-7.68,;11.75,-6.28,;12.78,-6.18,;13.92,-7.72,;14.85,-8.95,;14.48,-10.45,;15.66,-11.44,;17.05,-10.84,;18.1,-12.07,;18.11,-13.65,;16.71,-14.23,;15.68,-12.96,;17.08,-13.3,;18.41,-12.8,;19.94,-12.78,;19.61,-14.06,;18.4,-11.31,;13.08,-11.08,;13.04,-12.62,)| Show InChI InChI=1S/C26H33N3O2/c1-16-6-4-5-7-21(16)29-23-20(15-27-29)24(30)28(9-8-25(23,2)3)22-18-10-17-11-19(22)14-26(31,12-17)13-18/h4-7,15,17-19,22,31H,8-14H2,1-3H3/t17?,18?,19?,22-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430132 (CHEMBL2338254) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(c1)C(F)(F)F |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(12.82,-7.27,;13.45,-8.67,;13.84,-7.17,;14.98,-8.71,;15.92,-9.94,;15.55,-11.43,;16.72,-12.42,;18.11,-11.83,;19.16,-13.06,;19.17,-14.64,;17.77,-15.22,;16.75,-13.95,;18.15,-14.29,;19.47,-13.78,;21,-13.76,;20.68,-15.05,;19.47,-12.3,;14.14,-12.06,;14.11,-13.6,;12.77,-11.37,;11.42,-12.12,;10.29,-11.08,;10.93,-9.68,;12.46,-9.85,;10.17,-8.34,;10.95,-7.02,;10.2,-5.68,;8.65,-5.66,;7.87,-7,;8.64,-8.34,;6.33,-6.99,;5.57,-5.66,;5.56,-8.32,;4.79,-6.98,)| Show InChI InChI=1S/C26H30F3N3O2/c1-24(2)6-7-31(21-16-8-15-9-17(21)13-25(34,11-15)12-16)23(33)20-14-30-32(22(20)24)19-5-3-4-18(10-19)26(27,28)29/h3-5,10,14-17,21,34H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+	PDB MMDB 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method				Bioorg Med Chem 24: 3494-500 (2016) Article DOI: 10.1016/j.bmc.2016.05.054 BindingDB Entry DOI: 10.7270/Q2RR216W
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144679 (CHEMBL3759871) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1F)C(O)=O Show InChI InChI=1S/C25H19FN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430147 (CHEMBL2338264) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(29.24,-4.12,;29.87,-5.53,;30.63,-4.18,;31.41,-5.57,;32.34,-6.8,;31.97,-8.29,;33.15,-9.28,;34.54,-8.69,;35.59,-9.91,;35.6,-11.5,;34.2,-12.08,;33.17,-10.81,;34.57,-11.14,;35.89,-10.64,;37.43,-10.62,;37.1,-11.9,;35.89,-9.15,;30.57,-8.92,;30.53,-10.46,;29.19,-8.22,;27.85,-8.98,;26.71,-7.94,;27.35,-6.53,;28.89,-6.71,;26.59,-5.2,;27.38,-3.87,;26.62,-2.54,;25.08,-2.52,;24.3,-3.86,;25.06,-5.19,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h3-7,15-18,21,30H,8-14H2,1-2H3/t16?,17?,18?,21-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144655 (CHEMBL3758606) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccn1)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-31-18-8-5-15(6-9-18)22(28)27-24-26-13-21(33-24)19-10-7-16(23(29)30)12-20(19)32-14-17-4-2-3-11-25-17/h2-13H,14H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144688 (CHEMBL3758317) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(nn1)C(O)=O Show InChI InChI=1S/C16H12N4O4S/c1-24-10-4-2-9(3-5-10)14(21)18-16-17-8-13(25-16)11-6-7-12(15(22)23)20-19-11/h2-8H,1H3,(H,22,23)(H,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50430147 (CHEMBL2338264) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(29.24,-4.12,;29.87,-5.53,;30.63,-4.18,;31.41,-5.57,;32.34,-6.8,;31.97,-8.29,;33.15,-9.28,;34.54,-8.69,;35.59,-9.91,;35.6,-11.5,;34.2,-12.08,;33.17,-10.81,;34.57,-11.14,;35.89,-10.64,;37.43,-10.62,;37.1,-11.9,;35.89,-9.15,;30.57,-8.92,;30.53,-10.46,;29.19,-8.22,;27.85,-8.98,;26.71,-7.94,;27.35,-6.53,;28.89,-6.71,;26.59,-5.2,;27.38,-3.87,;26.62,-2.54,;25.08,-2.52,;24.3,-3.86,;25.06,-5.19,)| Show InChI InChI=1S/C25H31N3O2/c1-24(2)8-9-27(21-17-10-16-11-18(21)14-25(30,12-16)13-17)23(29)20-15-26-28(22(20)24)19-6-4-3-5-7-19/h3-7,15-18,21,30H,8-14H2,1-2H3/t16?,17?,18?,21-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144682 (CHEMBL3759512) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1Cl)C(O)=O Show InChI InChI=1S/C25H19ClN2O5S/c1-32-18-9-6-15(7-10-18)23(29)28-25-27-13-22(34-25)19-11-8-16(24(30)31)12-21(19)33-14-17-4-2-3-5-20(17)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430134 (CHEMBL2338252) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1cccc(Cl)c1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(25.72,-45.66,;26.36,-47.06,;26.75,-45.56,;27.89,-47.1,;28.82,-48.33,;28.45,-49.82,;29.63,-50.81,;31.02,-50.22,;32.07,-51.45,;32.08,-53.03,;30.68,-53.61,;29.65,-52.34,;31.05,-52.68,;32.37,-52.18,;33.91,-52.15,;33.58,-53.44,;32.37,-50.69,;27.05,-50.45,;27.01,-51.99,;25.67,-49.76,;24.33,-50.51,;23.19,-49.47,;23.83,-48.07,;25.37,-48.24,;23.07,-46.74,;23.86,-45.41,;23.1,-44.07,;21.56,-44.06,;20.78,-45.39,;19.24,-45.39,;21.54,-46.73,)| Show InChI InChI=1S/C25H30ClN3O2/c1-24(2)6-7-28(21-16-8-15-9-17(21)13-25(31,11-15)12-16)23(30)20-14-27-29(22(20)24)19-5-3-4-18(26)10-19/h3-5,10,14-17,21,31H,6-9,11-13H2,1-2H3/t15?,16?,17?,21-,25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430142 (CHEMBL2338244) Show SMILES CC1(C)CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccn1 |r,wU:6.5,13.14,TLB:10:9:16:12.11.6,10:11:15.9.8:16,6:7:15:12.10.11,THB:6:11:15:8.7.16,5:6:15.9.8:16,(8.51,-43.7,;8.91,-45.2,;9.67,-43.86,;10.44,-45.24,;11.38,-46.47,;11.01,-47.96,;12.18,-48.95,;13.57,-48.36,;14.62,-49.58,;14.63,-51.16,;13.23,-51.74,;12.21,-50.47,;13.6,-50.81,;14.93,-50.31,;16.46,-50.29,;16.13,-51.57,;14.92,-48.82,;9.6,-48.59,;9.57,-50.13,;8.23,-47.89,;6.89,-48.65,;5.76,-47.61,;6.39,-46.2,;7.93,-46.38,;5.64,-44.88,;6.42,-43.55,;5.66,-42.21,;4.12,-42.2,;3.34,-43.53,;4.11,-44.87,)| Show InChI InChI=1S/C24H30N4O2/c1-23(2)6-8-27(20-16-9-15-10-17(20)13-24(30,11-15)12-16)22(29)18-14-26-28(21(18)23)19-5-3-4-7-25-19/h3-5,7,14-17,20,30H,6,8-13H2,1-2H3/t15?,16?,17?,20-,24+	PDB MMDB 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
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144689 (CHEMBL3759755) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cn1)C(O)=O Show InChI InChI=1S/C17H13N3O4S/c1-24-12-5-2-10(3-6-12)15(21)20-17-19-9-14(25-17)13-7-4-11(8-18-13)16(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144686 (CHEMBL3758519) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1Oc1ccccc1)C(O)=O Show InChI InChI=1S/C24H18N2O5S/c1-30-17-10-7-15(8-11-17)22(27)26-24-25-14-21(32-24)19-12-9-16(23(28)29)13-20(19)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,28,29)(H,25,26,27)	PDB MMDB 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
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430137 (CHEMBL2338249) Show SMILES COc1ccc(cc1)-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(8.21,-30.35,;7.44,-31.68,;8.2,-33.02,;9.74,-33.03,;10.5,-34.37,;9.71,-35.7,;8.18,-35.69,;7.42,-34.36,;10.47,-37.03,;9.83,-38.44,;10.96,-39.48,;12.31,-38.72,;12,-37.21,;12.99,-36.03,;12.36,-34.62,;13.39,-34.53,;14.53,-36.07,;15.46,-37.3,;15.09,-38.79,;16.27,-39.78,;17.66,-39.19,;18.71,-40.41,;18.72,-42,;17.32,-42.57,;16.29,-41.31,;17.69,-41.64,;19.01,-41.14,;20.55,-41.12,;20.22,-42.4,;19.01,-39.65,;13.68,-39.42,;13.65,-40.96,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)21-15-27-29(23(21)25)19-4-6-20(32-3)7-5-19/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50430138 (CHEMBL2338248) Show SMILES COc1ccccc1-n1ncc2c1C(C)(C)CCN([C@H]1C3CC4CC1C[C@@](O)(C4)C3)C2=O |r,wU:19.20,26.29,TLB:23:22:29:25.24.19,23:24:28.22.21:29,19:20:28:25.23.24,THB:19:24:28:21.20.29,18:19:28.22.21:29,(23.46,-21.38,;25,-21.39,;25.78,-20.06,;25.01,-18.73,;25.79,-17.39,;27.34,-17.4,;28.09,-18.74,;27.31,-20.07,;28.07,-21.4,;27.43,-22.81,;28.56,-23.85,;29.91,-23.09,;29.6,-21.58,;30.59,-20.4,;29.96,-18.99,;30.98,-18.9,;32.12,-20.44,;33.06,-21.67,;32.68,-23.16,;33.86,-24.15,;35.25,-23.56,;36.3,-24.78,;36.31,-26.37,;34.91,-26.94,;33.89,-25.68,;35.29,-26.01,;36.61,-25.51,;38.14,-25.49,;37.82,-26.77,;36.6,-24.02,;31.28,-23.79,;31.25,-25.33,)| Show InChI InChI=1S/C26H33N3O3/c1-25(2)8-9-28(22-17-10-16-11-18(22)14-26(31,12-16)13-17)24(30)19-15-27-29(23(19)25)20-6-4-5-7-21(20)32-3/h4-7,15-18,22,31H,8-14H2,1-3H3/t16?,17?,18?,22-,26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1 Show InChI InChI=1S/C21H23NO3/c1-15(2)24-19-11-13-21(14-12-19)25-20-9-7-18(8-10-20)6-5-16(3)22-17(4)23/h7-16H,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate afte...				Bioorg Med Chem 24: 5258-5269 (2016) Article DOI: 10.1016/j.bmc.2016.08.045 BindingDB Entry DOI: 10.7270/Q2S46TXF
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50420563 (CHEMBL2087023) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50335638 (5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144683 (CHEMBL3760009) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCCc1ccccc1)C(O)=O Show InChI InChI=1S/C26H22N2O5S/c1-32-20-10-7-18(8-11-20)24(29)28-26-27-16-23(34-26)21-12-9-19(25(30)31)15-22(21)33-14-13-17-5-3-2-4-6-17/h2-12,15-16H,13-14H2,1H3,(H,30,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144670 (CHEMBL3759349) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1C#N)C(O)=O Show InChI InChI=1S/C26H19N3O5S/c1-33-20-9-6-16(7-10-20)24(30)29-26-28-14-23(35-26)21-11-8-17(25(31)32)12-22(21)34-15-19-5-3-2-4-18(19)13-27/h2-12,14H,15H2,1H3,(H,31,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50430148 (CHEMBL2338263) Show SMILES CC1CCN([C@H]2C3CC4CC2C[C@@](O)(C4)C3)C(=O)c2cnn(c12)-c1ccccc1 |r,wU:5.4,12.13,TLB:9:8:15:11.10.5,9:10:14.8.7:15,5:6:14:11.9.10,THB:5:10:14:7.6.15,4:5:14.8.7:15,(9.34,-4.09,;9.97,-5.5,;11.51,-5.54,;12.44,-6.77,;12.07,-8.26,;13.25,-9.25,;14.64,-8.66,;15.69,-9.88,;15.7,-11.47,;14.3,-12.05,;13.27,-10.78,;14.67,-11.11,;15.99,-10.61,;17.53,-10.59,;17.2,-11.87,;15.99,-9.12,;10.67,-8.89,;10.63,-10.43,;9.29,-8.19,;7.95,-8.95,;6.81,-7.91,;7.45,-6.5,;8.99,-6.68,;6.69,-5.17,;7.48,-3.84,;6.72,-2.5,;5.18,-2.49,;4.4,-3.83,;5.16,-5.16,)| Show InChI InChI=1S/C24H29N3O2/c1-15-7-8-26(22-17-9-16-10-18(22)13-24(29,11-16)12-17)23(28)20-14-25-27(21(15)20)19-5-3-2-4-6-19/h2-6,14-18,22,29H,7-13H2,1H3/t15?,16?,17?,18?,22-,24+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay				Bioorg Med Chem Lett 23: 1617-21 (2013) Article DOI: 10.1016/j.bmcl.2013.01.090 BindingDB Entry DOI: 10.7270/Q27P90RZ
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM50144685 (CHEMBL3758270) Show SMILES COc1ccc(cc1)C(=O)Nc1ncc(s1)-c1ccc(cc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C25H20N2O5S/c1-31-19-10-7-17(8-11-19)23(28)27-25-26-14-22(33-25)20-12-9-18(24(29)30)13-21(20)32-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay				Bioorg Med Chem 24: 1136-41 (2016) Article DOI: 10.1016/j.bmc.2016.01.043 BindingDB Entry DOI: 10.7270/Q2BK1F7G
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 181 total )  |  Next  |  Last  >>

Jump to: