Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'seo' and Initial = 'hw'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537918 (CHEMBL3951168) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:18:15:10:8.12.13,7:8:10:15.16.17,THB:16:11:8:14.15.17,16:15:8:10.11.12,18:15:8:10.11.12,14:13:10:15.16.17,14:15:10:8.12.13,(-1.37,-7.72,;-2.51,-7.26,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-2.03,-3.15,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.16,;3.58,2.29,;3.79,.16,;-5.37,-6.12,;-5.52,-4.9,;-6.32,-6.91,;-5.15,-7.65,;-3.72,-8.22,;-6.36,-8.6,;-7.79,-8.03,;-7.97,-6.81,;-9,-8.99,;-8.78,-10.51,;-7.34,-11.08,;-6.14,-10.12,;-4.99,-10.58,;-9.98,-11.47,;-11.13,-11.01,;-9.8,-12.69,;-10.95,-12.23,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537922 (CHEMBL4645319) Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2 |TLB:35:34:8:6.5.4,10:9:6.35.5:36.3.8,10:9:8:6.5.4,THB:35:5:9.34.36:8,4:5:9:36.3.8,4:3:9:6.35.5,(25.97,-44.51,;24.63,-43.75,;24.62,-42.21,;23.31,-44.52,;23.8,-45.96,;22.65,-46.97,;21.46,-46.15,;20.94,-44.82,;22.05,-43.83,;19.18,-44.78,;17.84,-45.53,;16.52,-44.75,;16.53,-43.21,;15.18,-45.51,;13.85,-44.73,;13.87,-43.19,;12.55,-42.41,;11.21,-43.16,;11.19,-44.7,;9.85,-45.46,;9.84,-46.99,;11.17,-47.77,;8.5,-47.75,;7.17,-46.96,;7.19,-45.42,;8.53,-44.67,;8.55,-43.13,;5.83,-47.72,;4.5,-46.94,;5.81,-49.26,;4.49,-48.48,;12.52,-45.49,;13.28,-46.82,;11.74,-46.81,;20.5,-45.63,;21.01,-47.06,;21.68,-44.56,)| Show InChI InChI=1S/C23H27Cl2F3N4O4S/c24-16-6-15(23(26,27)28)7-17(25)20(16)32-3-1-2-31(37(32,35)36)11-18(33)30-19-13-4-12-5-14(19)10-22(8-12,9-13)21(29)34/h6-7,12-14,19H,1-5,8-11H2,(H2,29,34)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537922 (CHEMBL4645319) Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2 |TLB:35:34:8:6.5.4,10:9:6.35.5:36.3.8,10:9:8:6.5.4,THB:35:5:9.34.36:8,4:5:9:36.3.8,4:3:9:6.35.5,(25.97,-44.51,;24.63,-43.75,;24.62,-42.21,;23.31,-44.52,;23.8,-45.96,;22.65,-46.97,;21.46,-46.15,;20.94,-44.82,;22.05,-43.83,;19.18,-44.78,;17.84,-45.53,;16.52,-44.75,;16.53,-43.21,;15.18,-45.51,;13.85,-44.73,;13.87,-43.19,;12.55,-42.41,;11.21,-43.16,;11.19,-44.7,;9.85,-45.46,;9.84,-46.99,;11.17,-47.77,;8.5,-47.75,;7.17,-46.96,;7.19,-45.42,;8.53,-44.67,;8.55,-43.13,;5.83,-47.72,;4.5,-46.94,;5.81,-49.26,;4.49,-48.48,;12.52,-45.49,;13.28,-46.82,;11.74,-46.81,;20.5,-45.63,;21.01,-47.06,;21.68,-44.56,)| Show InChI InChI=1S/C23H27Cl2F3N4O4S/c24-16-6-15(23(26,27)28)7-17(25)20(16)32-3-1-2-31(37(32,35)36)11-18(33)30-19-13-4-12-5-14(19)10-22(8-12,9-13)21(29)34/h6-7,12-14,19H,1-5,8-11H2,(H2,29,34)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537919 (CHEMBL4633146) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Br)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(11.03,-25.79,;11.01,-27.33,;12.33,-28.11,;12.31,-29.65,;13.64,-30.43,;14.98,-29.67,;14.99,-28.13,;16.3,-30.45,;17.64,-29.69,;19.4,-29.74,;19.92,-31.07,;21.11,-31.89,;19.47,-31.98,;18.96,-30.55,;20.14,-29.48,;21.77,-29.44,;22.26,-30.88,;20.51,-28.74,;23.09,-28.66,;24.43,-29.42,;23.08,-27.12,;10.98,-30.41,;11.74,-31.74,;10.2,-31.73,;9.65,-29.62,;9.67,-28.08,;8.31,-30.38,;8.3,-31.91,;9.63,-32.69,;6.96,-32.67,;5.63,-31.88,;4.29,-32.64,;5.65,-30.34,;6.99,-29.59,;7.01,-28.05,)| Show InChI InChI=1S/C23H29BrCl2N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537918 (CHEMBL3951168) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:18:15:10:8.12.13,7:8:10:15.16.17,THB:16:11:8:14.15.17,16:15:8:10.11.12,18:15:8:10.11.12,14:13:10:15.16.17,14:15:10:8.12.13,(-1.37,-7.72,;-2.51,-7.26,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-2.03,-3.15,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.16,;3.58,2.29,;3.79,.16,;-5.37,-6.12,;-5.52,-4.9,;-6.32,-6.91,;-5.15,-7.65,;-3.72,-8.22,;-6.36,-8.6,;-7.79,-8.03,;-7.97,-6.81,;-9,-8.99,;-8.78,-10.51,;-7.34,-11.08,;-6.14,-10.12,;-4.99,-10.58,;-9.98,-11.47,;-11.13,-11.01,;-9.8,-12.69,;-10.95,-12.23,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537919 (CHEMBL4633146) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Br)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(11.03,-25.79,;11.01,-27.33,;12.33,-28.11,;12.31,-29.65,;13.64,-30.43,;14.98,-29.67,;14.99,-28.13,;16.3,-30.45,;17.64,-29.69,;19.4,-29.74,;19.92,-31.07,;21.11,-31.89,;19.47,-31.98,;18.96,-30.55,;20.14,-29.48,;21.77,-29.44,;22.26,-30.88,;20.51,-28.74,;23.09,-28.66,;24.43,-29.42,;23.08,-27.12,;10.98,-30.41,;11.74,-31.74,;10.2,-31.73,;9.65,-29.62,;9.67,-28.08,;8.31,-30.38,;8.3,-31.91,;9.63,-32.69,;6.96,-32.67,;5.63,-31.88,;4.29,-32.64,;5.65,-30.34,;6.99,-29.59,;7.01,-28.05,)| Show InChI InChI=1S/C23H29BrCl2N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM167444 (US9073906, 156) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537921 (CHEMBL4649416) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1ccc(cn1)C(F)(F)F |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(62.19,-24.8,;62.17,-26.34,;63.49,-27.12,;63.47,-28.66,;64.79,-29.44,;66.13,-28.68,;66.15,-27.14,;67.46,-29.46,;68.8,-28.71,;70.56,-28.75,;71.07,-30.08,;72.26,-30.9,;70.63,-30.99,;70.12,-29.56,;71.3,-28.49,;72.93,-28.45,;73.42,-29.89,;71.67,-27.76,;74.25,-27.68,;75.59,-28.44,;74.24,-26.14,;62.13,-29.42,;62.9,-30.75,;61.36,-30.74,;60.81,-28.63,;60.82,-27.09,;59.47,-29.39,;59.46,-30.92,;58.12,-31.68,;56.79,-30.89,;56.8,-29.35,;58.15,-28.6,;55.44,-31.65,;54.12,-30.87,;55.43,-33.19,;54.11,-32.41,)| Show InChI InChI=1S/C23H30F3N5O4S/c1-13-10-30(36(34,35)31(11-13)18-3-2-17(9-28-18)23(24,25)26)12-19(32)29-20-15-4-14-5-16(20)8-22(6-14,7-15)21(27)33/h2-3,9,13-16,20H,4-8,10-12H2,1H3,(H2,27,33)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM167444 (US9073906, 156) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537917 (CHEMBL4648389) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(C)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(36.44,-11.66,;36.42,-13.2,;37.73,-13.98,;37.71,-15.52,;39.04,-16.3,;40.38,-15.54,;40.39,-14,;41.71,-16.33,;43.05,-15.57,;44.8,-15.61,;45.32,-16.94,;46.51,-17.76,;44.88,-17.85,;44.36,-16.42,;45.55,-15.36,;47.17,-15.32,;47.67,-16.75,;45.91,-14.62,;48.5,-14.54,;49.84,-15.3,;48.49,-13,;36.38,-16.28,;37.14,-17.61,;35.61,-17.61,;35.05,-15.49,;35.07,-13.95,;33.72,-16.25,;33.7,-17.78,;35.03,-18.57,;32.37,-18.54,;31.03,-17.76,;29.69,-18.51,;31.05,-16.22,;32.39,-15.46,;32.41,-13.92,)| Show InChI InChI=1S/C24H32Cl2N4O4S/c1-13-3-18(25)22(19(26)4-13)30-11-14(2)10-29(35(30,33)34)12-20(31)28-21-16-5-15-6-17(21)9-24(7-15,8-16)23(27)32/h3-4,14-17,21H,5-12H2,1-2H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50444090 (CHEMBL3093151) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)	PDB MMDB 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin)				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537917 (CHEMBL4648389) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(C)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(36.44,-11.66,;36.42,-13.2,;37.73,-13.98,;37.71,-15.52,;39.04,-16.3,;40.38,-15.54,;40.39,-14,;41.71,-16.33,;43.05,-15.57,;44.8,-15.61,;45.32,-16.94,;46.51,-17.76,;44.88,-17.85,;44.36,-16.42,;45.55,-15.36,;47.17,-15.32,;47.67,-16.75,;45.91,-14.62,;48.5,-14.54,;49.84,-15.3,;48.49,-13,;36.38,-16.28,;37.14,-17.61,;35.61,-17.61,;35.05,-15.49,;35.07,-13.95,;33.72,-16.25,;33.7,-17.78,;35.03,-18.57,;32.37,-18.54,;31.03,-17.76,;29.69,-18.51,;31.05,-16.22,;32.39,-15.46,;32.41,-13.92,)| Show InChI InChI=1S/C24H32Cl2N4O4S/c1-13-3-18(25)22(19(26)4-13)30-11-14(2)10-29(35(30,33)34)12-20(31)28-21-16-5-15-6-17(21)9-24(7-15,8-16)23(27)32/h3-4,14-17,21H,5-12H2,1-2H3,(H2,27,32)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537920 (CHEMBL4632806) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1ccccn1 |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(34.51,-25.75,;34.49,-27.29,;35.81,-28.07,;35.79,-29.61,;37.12,-30.39,;38.46,-29.63,;38.48,-28.09,;39.79,-30.42,;41.13,-29.66,;42.89,-29.7,;43.41,-31.03,;44.6,-31.85,;42.96,-31.95,;42.45,-30.51,;43.63,-29.45,;45.26,-29.41,;45.76,-30.84,;44,-28.71,;46.59,-28.63,;47.93,-29.39,;46.58,-27.09,;34.46,-30.37,;35.22,-31.7,;33.69,-31.7,;33.13,-29.58,;33.15,-28.04,;31.79,-30.34,;31.78,-31.88,;30.44,-32.64,;29.11,-31.85,;29.13,-30.31,;30.47,-29.55,)| Show InChI InChI=1S/C22H31N5O4S/c1-14-11-26(32(30,31)27(12-14)18-4-2-3-5-24-18)13-19(28)25-20-16-6-15-7-17(20)10-22(8-15,9-16)21(23)29/h2-5,14-17,20H,6-13H2,1H3,(H2,23,29)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537916 (CHEMBL4646414) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccco1 |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(12.15,-11.25,;12.13,-12.79,;13.45,-13.57,;13.43,-15.11,;14.76,-15.89,;16.1,-15.13,;16.11,-13.59,;17.42,-15.91,;18.76,-15.16,;20.52,-15.2,;21.04,-16.53,;22.23,-17.35,;20.59,-17.44,;20.08,-16.01,;21.26,-14.94,;22.89,-14.9,;23.38,-16.34,;21.63,-14.21,;24.21,-14.12,;25.55,-14.89,;24.2,-12.58,;12.09,-15.87,;12.86,-17.2,;11.32,-17.19,;10.77,-15.08,;10.79,-13.54,;9.43,-15.84,;9.42,-17.37,;10.75,-18.15,;8.08,-18.13,;6.75,-17.34,;6.77,-15.8,;8.11,-15.05,;8.13,-13.51,;5.4,-18.1,;5.22,-19.63,;3.71,-19.93,;2.96,-18.59,;4,-17.46,)| Show InChI InChI=1S/C27H32Cl2N4O5S/c1-15-12-32(14-23(34)31-24-18-5-16-6-19(24)11-27(9-16,10-18)26(30)35)39(36,37)33(13-15)25-20(28)7-17(8-21(25)29)22-3-2-4-38-22/h2-4,7-8,15-16,18-19,24H,5-6,9-14H2,1H3,(H2,30,35)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444090 (CHEMBL3093151) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537916 (CHEMBL4646414) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccco1 |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(12.15,-11.25,;12.13,-12.79,;13.45,-13.57,;13.43,-15.11,;14.76,-15.89,;16.1,-15.13,;16.11,-13.59,;17.42,-15.91,;18.76,-15.16,;20.52,-15.2,;21.04,-16.53,;22.23,-17.35,;20.59,-17.44,;20.08,-16.01,;21.26,-14.94,;22.89,-14.9,;23.38,-16.34,;21.63,-14.21,;24.21,-14.12,;25.55,-14.89,;24.2,-12.58,;12.09,-15.87,;12.86,-17.2,;11.32,-17.19,;10.77,-15.08,;10.79,-13.54,;9.43,-15.84,;9.42,-17.37,;10.75,-18.15,;8.08,-18.13,;6.75,-17.34,;6.77,-15.8,;8.11,-15.05,;8.13,-13.51,;5.4,-18.1,;5.22,-19.63,;3.71,-19.93,;2.96,-18.59,;4,-17.46,)| Show InChI InChI=1S/C27H32Cl2N4O5S/c1-15-12-32(14-23(34)31-24-18-5-16-6-19(24)11-27(9-16,10-18)26(30)35)39(36,37)33(13-15)25-20(28)7-17(8-21(25)29)22-3-2-4-38-22/h2-4,7-8,15-16,18-19,24H,5-6,9-14H2,1H3,(H2,30,35)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444135 (CHEMBL3093260) Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-12-19(3-4-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444137 (CHEMBL3093258) Show SMILES Nc1ncc(cc1-c1nc2cc(ccc2o1)N1CCCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C25H29N7O/c26-24-21(12-17(14-28-24)18-15-29-32(16-18)19-6-8-27-9-7-19)25-30-22-13-20(4-5-23(22)33-25)31-10-2-1-3-11-31/h4-5,12-16,19,27H,1-3,6-11H2,(H2,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057740 (CHEMBL3322987) Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H20ClFN4O3/c1-27-18-7-14-17(8-19(18)29-10-13-9-23-4-5-28-13)24-11-25-20(14)26-16-3-2-12(21)6-15(16)22/h2-3,6-8,11,13,23H,4-5,9-10H2,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057741 (CHEMBL3322988) Show SMILES COc1cc2c(Nc3ccc(Cl)c(c3)C(F)(F)F)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C21H20ClF3N4O3/c1-30-18-7-14-17(8-19(18)32-10-13-9-26-4-5-31-13)27-11-28-20(14)29-12-2-3-16(22)15(6-12)21(23,24)25/h2-3,6-8,11,13,26H,4-5,9-10H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537915 (CHEMBL4638272) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccccc1 |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(45.75,.59,;45.73,-.95,;47.05,-1.73,;47.03,-3.27,;48.36,-4.06,;49.7,-3.3,;49.71,-1.76,;51.03,-4.08,;52.37,-3.32,;54.12,-3.37,;54.64,-4.69,;55.83,-5.52,;54.2,-5.61,;53.68,-4.17,;54.87,-3.11,;56.49,-3.07,;56.99,-4.5,;55.24,-2.37,;57.82,-2.29,;59.16,-3.05,;57.81,-.75,;45.69,-4.03,;46.45,-5.36,;44.92,-5.36,;44.36,-3.25,;44.38,-1.7,;43.03,-4,;43.01,-5.54,;44.34,-6.32,;41.68,-6.3,;40.34,-5.51,;40.36,-3.97,;41.7,-3.21,;41.72,-1.67,;39,-6.27,;37.67,-5.48,;36.33,-6.23,;36.31,-7.78,;37.65,-8.56,;38.99,-7.8,)| Show InChI InChI=1S/C29H34Cl2N4O4S/c1-17-14-34(16-25(36)33-26-21-7-18-8-22(26)13-29(11-18,12-21)28(32)37)40(38,39)35(15-17)27-23(30)9-20(10-24(27)31)19-5-3-2-4-6-19/h2-6,9-10,17-18,21-22,26H,7-8,11-16H2,1H3,(H2,32,37)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057737 (CHEMBL3322986) Show SMILES COc1cc2c(Nc3ccc(F)cc3C)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C21H23FN4O3/c1-13-7-14(22)3-4-17(13)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50384021 (CHEMBL2032283 | CHEMBL2079205) Show SMILES Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccccc3)c2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C26H24N6O2/c27-25-20(12-17(13-29-25)18-14-30-32(15-18)19-8-10-28-11-9-19)26-31-21-6-7-22(33)23(24(21)34-26)16-4-2-1-3-5-16/h1-7,12-15,19,28,33H,8-11H2,(H2,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057747 (CHEMBL3322990) Show SMILES COc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H20BrClN4O3/c1-27-18-7-14-17(8-19(18)29-10-13-9-23-4-5-28-13)24-11-25-20(14)26-16-3-2-12(21)6-15(16)22/h2-3,6-8,11,13,23H,4-5,9-10H2,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537915 (CHEMBL4638272) Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)-c1ccccc1 |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(45.75,.59,;45.73,-.95,;47.05,-1.73,;47.03,-3.27,;48.36,-4.06,;49.7,-3.3,;49.71,-1.76,;51.03,-4.08,;52.37,-3.32,;54.12,-3.37,;54.64,-4.69,;55.83,-5.52,;54.2,-5.61,;53.68,-4.17,;54.87,-3.11,;56.49,-3.07,;56.99,-4.5,;55.24,-2.37,;57.82,-2.29,;59.16,-3.05,;57.81,-.75,;45.69,-4.03,;46.45,-5.36,;44.92,-5.36,;44.36,-3.25,;44.38,-1.7,;43.03,-4,;43.01,-5.54,;44.34,-6.32,;41.68,-6.3,;40.34,-5.51,;40.36,-3.97,;41.7,-3.21,;41.72,-1.67,;39,-6.27,;37.67,-5.48,;36.33,-6.23,;36.31,-7.78,;37.65,-8.56,;38.99,-7.8,)| Show InChI InChI=1S/C29H34Cl2N4O4S/c1-17-14-34(16-25(36)33-26-21-7-18-8-22(26)13-29(11-18,12-21)28(32)37)40(38,39)35(15-17)27-23(30)9-20(10-24(27)31)19-5-3-2-4-6-19/h2-6,9-10,17-18,21-22,26H,7-8,11-16H2,1H3,(H2,32,37)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50247012 (3beta-O-Succinyl-18-beta-glycyrrhetinic acid | Car...) Show SMILES CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O |r,t:18| Show InChI InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057732 (CHEMBL3322983) Show SMILES COc1cc2c(Nc3ccc(C)c(Cl)c3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C21H23ClN4O3/c1-13-3-4-14(7-17(13)22)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057748 (CHEMBL3322991) Show SMILES COc1cc2c(Nc3ccc(Br)c(C)c3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C21H23BrN4O3/c1-13-7-14(3-4-17(13)22)26-21-16-8-19(27-2)20(9-18(16)24-12-25-21)29-11-15-10-23-5-6-28-15/h3-4,7-9,12,15,23H,5-6,10-11H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50444090 (CHEMBL3093151) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444098 (CHEMBL3093253) Show SMILES Nc1ncc(cc1-c1nc2cccc(-c3ccccn3)c2o1)-c1cccc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C30H28N6O3/c31-28-24(30-35-26-9-4-7-23(27(26)39-30)25-8-1-2-10-32-25)18-22(19-34-28)20-5-3-6-21(17-20)29(37)33-11-12-36-13-15-38-16-14-36/h1-10,17-19H,11-16H2,(H2,31,34)(H,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057744 (CHEMBL3322989) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H20BrFN4O3/c1-27-18-7-14-17(8-19(18)29-10-13-9-23-4-5-28-13)24-11-25-20(14)26-16-3-2-12(21)6-15(16)22/h2-3,6-8,11,13,23H,4-5,9-10H2,1H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444095 (CHEMBL3093255) Show SMILES COc1ccc(cc1)-c1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H26N6O3/c1-35-20-4-2-16(3-5-20)24-23(34)7-6-22-25(24)36-27(32-22)21-12-17(13-30-26(21)28)18-14-31-33(15-18)19-8-10-29-11-9-19/h2-7,12-15,19,29,34H,8-11H2,1H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50444090 (CHEMBL3093151) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)	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	460	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444130 (CHEMBL3093145) Show SMILES CCCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H29N7O/c1-2-3-8-27-18-4-5-22-21(12-18)30-24(32-22)20-11-16(13-28-23(20)25)17-14-29-31(15-17)19-6-9-26-10-7-19/h4-5,11-15,19,26-27H,2-3,6-10H2,1H3,(H2,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50384020 (CHEMBL2032284 | CHEMBL2079522) Show SMILES Nc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C20H21N7O/c21-14-1-2-18-17(8-14)26-20(28-18)16-7-12(9-24-19(16)22)13-10-25-27(11-13)15-3-5-23-6-4-15/h1-2,7-11,15,23H,3-6,21H2,(H2,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50537923 (CHEMBL4638268) Show SMILES CCC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:13:14:18:11.12.17,13:12:9.14.15:18,8:9:11.13.12:15.16.18,8:9:18:11.12.17,THB:17:12:9:15.16.18,17:16:9:11.13.12,(39.03,-38.53,;37.69,-39.28,;37.67,-40.82,;38.99,-41.6,;38.96,-43.14,;40.29,-43.92,;41.63,-43.16,;41.65,-41.62,;42.96,-43.95,;44.3,-43.19,;46.05,-43.23,;46.57,-44.56,;47.76,-45.38,;46.13,-45.47,;45.61,-44.04,;46.8,-42.98,;48.42,-42.94,;48.92,-44.37,;47.17,-42.24,;49.75,-42.16,;51.09,-42.92,;49.74,-40.62,;37.63,-43.9,;38.39,-45.23,;36.86,-45.22,;36.3,-43.11,;36.32,-41.57,;34.97,-43.87,;34.95,-45.4,;36.28,-46.19,;33.62,-46.16,;32.28,-45.38,;32.3,-43.83,;33.64,-43.08,;33.66,-41.54,;30.94,-46.13,;29.62,-45.35,;30.93,-47.67,;29.6,-46.89,)| Show InChI InChI=1S/C25H31Cl2F3N4O4S/c1-2-13-10-33(39(37,38)34(11-13)22-18(26)5-17(6-19(22)27)25(28,29)30)12-20(35)32-21-15-3-14-4-16(21)9-24(7-14,8-15)23(31)36/h5-6,13-16,21H,2-4,7-12H2,1H3,(H2,31,36)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	529	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444097 (CHEMBL3093254) Show SMILES Nc1ncc(cc1-c1nc2ccc(O)c(-c3ccc4cn[nH]c4c3)c2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H24N8O2/c28-26-20(9-17(11-30-26)18-13-32-35(14-18)19-5-7-29-8-6-19)27-33-21-3-4-23(36)24(25(21)37-27)15-1-2-16-12-31-34-22(16)10-15/h1-4,9-14,19,29,36H,5-8H2,(H2,28,30)(H,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444108 (CHEMBL3093243) Show SMILES COc1ccc(cc1)N(C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C34H32N8O3/c1-44-28-10-8-27(9-11-28)42(26-5-3-2-4-6-26)34(43)39-24-7-12-30-31(18-24)45-33(40-30)29-17-22(19-37-32(29)35)23-20-38-41(21-23)25-13-15-36-16-14-25/h2-12,17-21,25,36H,13-16H2,1H3,(H2,35,37)(H,39,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057717 (CHEMBL3322978) Show SMILES COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H21ClN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-5-6-27-15)23-12-24-20(16)25-14-4-2-3-13(21)7-14/h2-4,7-9,12,15,22H,5-6,10-11H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057730 (CHEMBL3322981) Show SMILES COc1cc2c(Nc3ccc(F)cc3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H21FN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-6-7-27-15)23-12-24-20(16)25-14-4-2-13(21)3-5-14/h2-5,8-9,12,15,22H,6-7,10-11H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444104 (CHEMBL3093247) Show SMILES Nc1ncc(cc1-c1nc2ccc(NC(=O)c3ccc(F)cc3)cc2o1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C27H24FN7O2/c28-19-3-1-16(2-4-19)26(36)33-20-5-6-23-24(12-20)37-27(34-23)22-11-17(13-31-25(22)29)18-14-32-35(15-18)21-7-9-30-10-8-21/h1-6,11-15,21,30H,7-10H2,(H2,29,31)(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50444108 (CHEMBL3093243) Show SMILES COc1ccc(cc1)N(C(=O)Nc1ccc2nc(oc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1ccccc1 Show InChI InChI=1S/C34H32N8O3/c1-44-28-10-8-27(9-11-28)42(26-5-3-2-4-6-26)34(43)39-24-7-12-30-31(18-24)45-33(40-30)29-17-22(19-37-32(29)35)23-20-38-41(21-23)25-13-15-36-16-14-25/h2-12,17-21,25,36H,13-16H2,1H3,(H2,35,37)(H,39,43)	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	660	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50384035 (CHEMBL2032158 | CHEMBL2078645) Show SMILES CNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C21H23N7O/c1-23-15-2-3-19-18(9-15)27-21(29-19)17-8-13(10-25-20(17)22)14-11-26-28(12-14)16-4-6-24-7-5-16/h2-3,8-12,16,23-24H,4-7H2,1H3,(H2,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057729 (CHEMBL3322977) Show SMILES COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CN(C)CCO1 Show InChI InChI=1S/C21H23BrN4O3/c1-26-7-8-28-16(11-26)12-29-20-10-18-17(9-19(20)27-2)21(24-13-23-18)25-15-5-3-14(22)4-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50537923 (CHEMBL4638268) Show SMILES CCC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:13:14:18:11.12.17,13:12:9.14.15:18,8:9:11.13.12:15.16.18,8:9:18:11.12.17,THB:17:12:9:15.16.18,17:16:9:11.13.12,(39.03,-38.53,;37.69,-39.28,;37.67,-40.82,;38.99,-41.6,;38.96,-43.14,;40.29,-43.92,;41.63,-43.16,;41.65,-41.62,;42.96,-43.95,;44.3,-43.19,;46.05,-43.23,;46.57,-44.56,;47.76,-45.38,;46.13,-45.47,;45.61,-44.04,;46.8,-42.98,;48.42,-42.94,;48.92,-44.37,;47.17,-42.24,;49.75,-42.16,;51.09,-42.92,;49.74,-40.62,;37.63,-43.9,;38.39,-45.23,;36.86,-45.22,;36.3,-43.11,;36.32,-41.57,;34.97,-43.87,;34.95,-45.4,;36.28,-46.19,;33.62,-46.16,;32.28,-45.38,;32.3,-43.83,;33.64,-43.08,;33.66,-41.54,;30.94,-46.13,;29.62,-45.35,;30.93,-47.67,;29.6,-46.89,)| Show InChI InChI=1S/C25H31Cl2F3N4O4S/c1-2-13-10-33(39(37,38)34(11-13)22-18(26)5-17(6-19(22)27)25(28,29)30)12-20(35)32-21-15-3-14-4-16(21)9-24(7-14,8-15)23(31)36/h5-6,13-16,21H,2-4,7-12H2,1H3,(H2,31,36)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126787 BindingDB Entry DOI: 10.7270/Q2TX3JWS
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444128 (CHEMBL3093147) Show SMILES CCCNc1ccc2oc(nc2c1)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H27N7O/c1-2-7-26-17-3-4-21-20(11-17)29-23(31-21)19-10-15(12-27-22(19)24)16-13-28-30(14-16)18-5-8-25-9-6-18/h3-4,10-14,18,25-26H,2,5-9H2,1H3,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057726 (CHEMBL3322980) Show SMILES COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H21BrN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-6-7-27-15)23-12-24-20(16)25-14-4-2-13(21)3-5-14/h2-5,8-9,12,15,22H,6-7,10-11H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057721 (CHEMBL3322979) Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCC1CNCCO1 Show InChI InChI=1S/C20H21BrN4O3/c1-26-18-8-16-17(9-19(18)28-11-15-10-22-5-6-27-15)23-12-24-20(16)25-14-4-2-3-13(21)7-14/h2-4,7-9,12,15,22H,5-6,10-11H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50057722 (CHEMBL3322975) Show SMILES COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCC1CN(C)CCO1 Show InChI InChI=1S/C21H23BrN4O3/c1-26-6-7-28-16(11-26)12-29-20-10-18-17(9-19(20)27-2)21(24-13-23-18)25-15-5-3-4-14(22)8-15/h3-5,8-10,13,16H,6-7,11-12H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB ...				Bioorg Med Chem Lett 24: 4080-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.081 BindingDB Entry DOI: 10.7270/Q2C53NHG
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50444125 (CHEMBL3093150) Show SMILES Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCOCC1)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H27N7O2/c25-23-20(11-16(13-27-23)17-14-28-31(15-17)18-3-5-26-6-4-18)24-29-21-2-1-19(12-22(21)33-24)30-7-9-32-10-8-30/h1-2,11-15,18,26H,3-10H2,(H2,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRE...				Bioorg Med Chem Lett 23: 6711-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.036 BindingDB Entry DOI: 10.7270/Q2SX6FPP
					More data for this Ligand-Target Pair

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