Compile Data Set for Download or QSAR

Found 393 hits with Last Name = 'ryu' and Initial = 'jh'   

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))	BDBM50066870 (CHEMBL3401672) Show SMILES NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:31.35,wD:24.26,TLB:28:27:34:30.29.24,28:29:33.27.26:34,24:25:33:30.28.29,THB:24:29:33:26.25.34,23:24:33.27.26:34,(-18.88,3.25,;-18.7,2.03,;-19.66,1.26,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H33N5O3/c28-25(33)18-4-6-21(7-5-18)31-8-10-32(11-9-31)23-3-1-2-22(29-23)26(34)30-24-19-12-17-13-20(24)16-27(35,14-17)15-19/h1-7,17,19-20,24,35H,8-16H2,(H2,28,33)(H,30,34)/t17?,19?,20?,24-,27-	PDB MMDB 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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066894 (CHEMBL3401683) Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(N)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.66,1.29,;-18.86,3.27,)| Show InChI InChI=1S/C28H35N5O3/c1-17-16-32(22-7-5-19(6-8-22)26(29)34)9-10-33(17)24-4-2-3-23(30-24)27(35)31-25-20-11-18-12-21(25)15-28(36,13-18)14-20/h2-8,17-18,20-21,25,36H,9-16H2,1H3,(H2,29,34)(H,31,35)/t17-,18?,20?,21?,25-,28-/m1/s1	PDB MMDB 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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489360 (Example 10-15 | US10961242, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C24H23N9O3/c34-21(32-6-5-19-20(12-32)29-31-28-19)13-33-11-18(22(30-33)23(35)36)16-9-25-24(26-10-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,35,36)(H,25,26,27)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582922 (Acid | US11548883, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)C2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489368 (Example 12-2 | US10961242, Compound 81 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCCCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O/c40-28(38-11-8-25-27(18-38)34-36-33-25)19-39-16-24(26(35-39)17-37-9-4-1-5-10-37)22-14-30-29(31-15-22)32-23-12-20-6-2-3-7-21(20)13-23/h2-3,6-7,14-16,23H,1,4-5,8-13,17-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489367 (Example 12-1 | US10961242, Compound 80 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H32N10O2/c39-27(37-6-5-24-26(17-37)33-35-32-24)18-38-15-23(25(34-38)16-36-7-9-40-10-8-36)21-13-29-28(30-14-21)31-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489369 (Example 12-3 | US10961242, Compound 82 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCNC(=O)C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H31N11O2/c40-26-16-37(8-6-29-26)14-24-22(13-39(35-24)17-27(41)38-7-5-23-25(15-38)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-4,11-13,21H,5-10,14-17H2,(H,29,40)(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489368 (Example 12-2 | US10961242, Compound 81 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCCCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O/c40-28(38-11-8-25-27(18-38)34-36-33-25)19-39-16-24(26(35-39)17-37-9-4-1-5-10-37)22-14-30-29(31-15-22)32-23-12-20-6-2-3-7-21(20)13-23/h2-3,6-7,14-16,23H,1,4-5,8-13,17-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489347 (Example 10-5 | US10961242, Compound 65 | US1154888...) Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489367 (Example 12-1 | US10961242, Compound 80 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H32N10O2/c39-27(37-6-5-24-26(17-37)33-35-32-24)18-38-15-23(25(34-38)16-36-7-9-40-10-8-36)21-13-29-28(30-14-21)31-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489369 (Example 12-3 | US10961242, Compound 82 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCNC(=O)C2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C28H31N11O2/c40-26-16-37(8-6-29-26)14-24-22(13-39(35-24)17-27(41)38-7-5-23-25(15-38)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-4,11-13,21H,5-10,14-17H2,(H,29,40)(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489347 (Example 10-5 | US10961242, Compound 65 | US1154888...) Show SMILES Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C23H23N9O2/c33-21(31-6-5-19-20(12-31)28-30-27-19)13-32-11-18(22(34)29-32)16-9-24-23(25-10-16)26-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,29,34)(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.56	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066871 (CHEMBL3401671) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:32.36,wD:25.27,TLB:29:28:35:31.30.25,29:30:34.28.27:35,25:26:34:31.29.30,THB:25:30:34:27.26.35,24:25:34.28.27:35,(-19.84,2.49,;-18.69,2.04,;-18.88,3.25,;-19.66,1.27,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O4S/c1-36(34,35)22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27-	PDB MMDB 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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50550263 (CHEMBL4748750) Show SMILES C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(37.25,-23.6,;37.25,-22.06,;35.92,-21.28,;35.92,-19.74,;37.26,-18.98,;38.59,-19.75,;38.58,-21.29,;39.91,-22.07,;39.91,-23.61,;41.25,-24.38,;42.58,-23.61,;42.58,-22.06,;41.24,-21.3,;43.91,-21.28,;43.9,-19.74,;45.25,-22.05,;46.58,-21.27,;46.55,-19.75,;47.53,-18.44,;48.95,-18.98,;48.99,-20.56,;47.99,-21.82,;49.32,-21.31,;49.28,-19.82,;50.75,-20.21,;50.44,-18.52,;47.94,-19.37,;34.6,-18.97,;34.6,-17.43,;33.27,-16.65,;31.94,-17.42,;31.94,-18.97,;33.27,-19.73,;33.26,-21.27,;30.6,-16.64,;29.27,-17.41,;29.82,-15.3,;31.37,-15.3,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse 11beta-HSD1 expressed in microsomes				Citation and Details BindingDB Entry DOI: 10.7270/Q27P930B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489366 (Example 11-2 | US10961242, Compound 79 | US1154888...) Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489366 (Example 11-2 | US10961242, Compound 79 | US1154888...) Show SMILES CCc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O/c1-2-21-20(13-34(31-21)15-24(35)33-8-7-22-23(14-33)30-32-29-22)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489357 (Example 10-14 | US10961242, Compound 74 | US115488...) Show SMILES CN(C)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H28N10O/c1-33(2)24-20(13-35(31-24)15-23(36)34-8-7-21-22(14-34)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,7-10,14-15H2,1-2H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489357 (Example 10-14 | US10961242, Compound 74 | US115488...) Show SMILES CN(C)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H28N10O/c1-33(2)24-20(13-35(31-24)15-23(36)34-8-7-21-22(14-34)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,7-10,14-15H2,1-2H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50060496 (CHEMBL3394399) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:8:7:4:2.1.6,0:1:4:24.7.23,THB:25:23:4:2.1.6,25:1:4:24.7.23,7:5:25.24.23:2,7:23:2:5.4.6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.16,;-3.17,-2.69,;-2.02,-3.15,;-4.38,-3.64,;-4.16,-5.17,;-5.38,-6.12,;-6.81,-5.54,;-7.02,-4.02,;-5.81,-3.07,;-8.45,-3.44,;-9.66,-4.39,;-11.09,-3.81,;-11.31,-2.29,;-10.09,-1.34,;-8.66,-1.92,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C21H29N3O2/c25-20(17-5-4-6-18(22-17)24-7-2-1-3-8-24)23-19-15-9-14-10-16(19)13-21(26,11-14)12-15/h4-6,14-16,19,26H,1-3,7-13H2,(H,23,25)/t14?,15?,16?,19-,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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Republic of Korea; Research Institute of Pharmaceutical Science and College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in HEK293 cell microsomal fraction				Bioorg Med Chem Lett 25: 695-700 (2015) Article DOI: 10.1016/j.bmcl.2014.11.074 BindingDB Entry DOI: 10.7270/Q24B32ZT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489342 (Example 9 | US10961242, Compound 60) Show SMILES O=C(Cn1cnc(c1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(32-6-5-19-21(12-32)29-30-28-19)13-31-11-20(26-14-31)17-9-24-23(25-10-17)27-18-7-15-3-1-2-4-16(15)8-18/h1-4,9-11,14,18H,5-8,12-13H2,(H,24,25,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50060501 (CHEMBL3394394) Show SMILES O[C@H]1CC[C@H](CC1)N(C1CC1)C(=O)c1cccc(n1)N1CCCCC1 |r,wD:4.7,1.0,(,2.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;-0,-3.08,;1.33,-3.85,;2.02,-5.14,;2.79,-3.81,;-1.34,-3.85,;-2.4,-3.23,;-1.34,-5.39,;-2.68,-6.16,;-2.68,-7.7,;-1.34,-8.47,;-.01,-7.7,;-.01,-6.16,;1.33,-8.47,;2.66,-7.7,;3.99,-8.48,;3.99,-10.02,;2.66,-10.78,;1.32,-10.01,)| Show InChI InChI=1S/C20H29N3O2/c24-17-11-9-16(10-12-17)23(15-7-8-15)20(25)18-5-4-6-19(21-18)22-13-2-1-3-14-22/h4-6,15-17,24H,1-3,7-14H2/t16-,17+	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Republic of Korea; Research Institute of Pharmaceutical Science and College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in HEK293 cell microsomal fraction				Bioorg Med Chem Lett 25: 695-700 (2015) Article DOI: 10.1016/j.bmcl.2014.11.074 BindingDB Entry DOI: 10.7270/Q24B32ZT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM582907 (2-(4-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimidi...) Show SMILES C1C(Cc2ccccc12)Nc1ncc(cn1)-c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489351 (Example 10-8 | US10961242, Compound 68 | US1154888...) Show SMILES CCN1CC(C1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H32N10O2/c1-2-36-13-22(14-36)40-27-23(15-38(34-27)17-26(39)37-8-7-24-25(16-37)33-35-32-24)20-11-29-28(30-12-20)31-21-9-18-5-3-4-6-19(18)10-21/h3-6,11-12,15,21-22H,2,7-10,13-14,16-17H2,1H3,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489351 (Example 10-8 | US10961242, Compound 68 | US1154888...) Show SMILES CCN1CC(C1)Oc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H32N10O2/c1-2-36-13-22(14-36)40-27-23(15-38(34-27)17-26(39)37-8-7-24-25(16-37)33-35-32-24)20-11-29-28(30-12-20)31-21-9-18-5-3-4-6-19(18)10-21/h3-6,11-12,15,21-22H,2,7-10,13-14,16-17H2,1H3,(H,29,30,31)(H,32,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066887 (CHEMBL3401676) Show SMILES NC(=O)c1ccc(N2CCN(CC2)c2cccc(n2)C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(Cl)c1 |r,wU:29.32,wD:22.23,TLB:26:25:32:28.27.22,26:27:31.25.24:32,22:23:31:28.26.27,THB:22:27:31:24.23.32,21:22:31.25.24:32,(-19.66,1.27,;-18.69,2.04,;-18.87,3.26,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-14.4,.34,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.62,1.86,;-13.66,2.63,;-16.06,2.43,)| Show InChI InChI=1S/C27H32ClN5O3/c28-20-12-17(25(29)34)4-5-22(20)32-6-8-33(9-7-32)23-3-1-2-21(30-23)26(35)31-24-18-10-16-11-19(24)15-27(36,13-16)14-18/h1-5,12,16,18-19,24,36H,6-11,13-15H2,(H2,29,34)(H,31,35)/t16?,18?,19?,24-,27-	PDB MMDB 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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in HEK293 cells using NADPH assessed as conversion of cortisone to cortisol by cell-based assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50066892 (CHEMBL3401681) Show SMILES C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wU:23.26,1.0,wD:16.17,TLB:20:19:26:22.21.16,20:21:25.19.18:26,16:17:25:22.20.21,THB:16:21:25:18.17.26,15:16:25.19.18:26,(-9.36,.93,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-10.1,-1.36,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,;-14.4,.34,;-15.6,-.61,;-17.03,-.04,;-17.26,1.48,;-16.05,2.43,;-14.62,1.86,;-18.69,2.05,;-19.83,2.51,;-19.66,1.29,;-18.87,3.27,)| Show InChI InChI=1S/C28H36N4O4S/c1-18-17-31(22-6-8-23(9-7-22)37(2,35)36)10-11-32(18)25-5-3-4-24(29-25)27(33)30-26-20-12-19-13-21(26)16-28(34,14-19)15-20/h3-9,18-21,26,34H,10-17H2,1-2H3,(H,30,33)/t18-,19?,20?,21?,26-,28-/m1/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489348 (Example 10-6 | US10961242, Compound 66 | US1154888...) Show SMILES O=C(Cn1cc(c(OCCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O3/c40-27(38-6-5-25-26(18-38)34-36-33-25)19-39-17-24(28(35-39)42-12-9-37-7-10-41-11-8-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50060491 (CHEMBL3394404) Show SMILES OCC1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:17.18,wD:24.27,TLB:16:17:19:26.24.27,25:24:19:21.17.22,17:18:23.21.22:26,THB:23:22:19:26.24.27,23:24:19:21.17.22,17:22:26:18.19.27,(-12.9,-.48,;-12.73,-1.7,;-11.31,-2.29,;-11.09,-3.81,;-9.66,-4.39,;-8.45,-3.44,;-8.66,-1.92,;-10.09,-1.34,;-7.02,-4.02,;-6.8,-5.54,;-5.38,-6.12,;-4.16,-5.17,;-4.38,-3.64,;-5.81,-3.07,;-3.17,-2.69,;-2.02,-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,;2.78,1.14,;1.56,2.59,;.34,.44,)| Show InChI InChI=1S/C22H31N3O3/c26-13-14-4-6-25(7-5-14)19-3-1-2-18(23-19)21(27)24-20-16-8-15-9-17(20)12-22(28,10-15)11-16/h1-3,14-17,20,26,28H,4-13H2,(H,24,27)/t15?,16?,17?,20-,22-	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Republic of Korea; Research Institute of Pharmaceutical Science and College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in HEK293 cell microsomal fraction				Bioorg Med Chem Lett 25: 695-700 (2015) Article DOI: 10.1016/j.bmcl.2014.11.074 BindingDB Entry DOI: 10.7270/Q24B32ZT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489348 (Example 10-6 | US10961242, Compound 66 | US1154888...) Show SMILES O=C(Cn1cc(c(OCCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O3/c40-27(38-6-5-25-26(18-38)34-36-33-25)19-39-17-24(28(35-39)42-12-9-37-7-10-41-11-8-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066874 (CHEMBL3401668) Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:30.34,wD:23.25,TLB:27:26:33:29.28.23,27:28:32.26.25:33,23:24:32:29.27.28,THB:23:28:32:25.24.33,22:23:32.26.25:33,(-19.66,1.26,;-18.7,2.03,;-17.26,1.47,;-16.06,2.43,;-14.62,1.86,;-14.4,.34,;-15.6,-.62,;-17.03,-.05,;-12.96,-.23,;-11.76,.73,;-10.32,.16,;-10.1,-1.36,;-11.31,-2.32,;-12.74,-1.75,;-8.67,-1.93,;-8.45,-3.45,;-7.01,-4.02,;-5.81,-3.07,;-6.03,-1.55,;-7.46,-.98,;-4.82,-.59,;-4.99,.63,;-3.39,-1.17,;-2.19,-.22,;-.95,.32,;-1,2.05,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;1.56,1.02,;2.78,1.14,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C27H34N4O3/c1-34-22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27-	PDB MMDB 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	2	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489315 (Example 6-1 | US10961242, Compound 33 | US11548883...) Show SMILES O=C(Cc1nnc(o1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C22H21N9O2/c32-20(31-6-5-17-18(12-31)27-30-26-17)9-19-28-29-21(33-19)15-10-23-22(24-11-15)25-16-7-13-3-1-2-4-14(13)8-16/h1-4,10-11,16H,5-9,12H2,(H,23,24,25)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489316 (Example 6-2 | US10961242, Compound 34 | US11548883...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2nnc(CC(=O)N3CCc4[nH]nnc4C3)o2)c1 Show InChI InChI=1S/C21H18F3N9O3/c22-21(23,24)36-14-3-1-2-12(6-14)8-25-20-26-9-13(10-27-20)19-31-30-17(35-19)7-18(34)33-5-4-15-16(11-33)29-32-28-15/h1-3,6,9-10H,4-5,7-8,11H2,(H,25,26,27)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489332 ( 2-(5-{2-[(2,3-dihydro-1H-inden-2-yl)amino]pyrimid...) Show SMILES O=C(Cn1ccc(n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(31-7-5-20-21(13-31)28-30-27-20)14-32-8-6-19(29-32)17-11-24-23(25-12-17)26-18-9-15-3-1-2-4-16(15)10-18/h1-4,6,8,11-12,18H,5,7,9-10,13-14H2,(H,24,25,26)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489337 (Example 8-2 | US10961242, Compound 57 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C25H21N7O3/c33-23(29-19-5-6-21-22(9-19)35-25(34)31-21)14-32-13-18(12-28-32)17-10-26-24(27-11-17)30-20-7-15-3-1-2-4-16(15)8-20/h1-6,9-13,20H,7-8,14H2,(H,29,33)(H,31,34)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489316 (Example 6-2 | US10961242, Compound 34 | US11548883...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2nnc(CC(=O)N3CCc4[nH]nnc4C3)o2)c1 Show InChI InChI=1S/C21H18F3N9O3/c22-21(23,24)36-14-3-1-2-12(6-14)8-25-20-26-9-13(10-27-20)19-31-30-17(35-19)7-18(34)33-5-4-15-16(11-33)29-32-28-15/h1-3,6,9-10H,4-5,7-8,11H2,(H,25,26,27)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489337 (Example 8-2 | US10961242, Compound 57 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)Nc1ccc2[nH]c(=O)oc2c1 Show InChI InChI=1S/C25H21N7O3/c33-23(29-19-5-6-21-22(9-19)35-25(34)31-21)14-32-13-18(12-28-32)17-10-26-24(27-11-17)30-20-7-15-3-1-2-4-16(15)8-20/h1-6,9-13,20H,7-8,14H2,(H,29,33)(H,31,34)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489292 (Example 1-2 | US10961242, Compound 2 | US11548883,...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)C(=O)NCCC(=O)N2CCc3[nH]nnc3C2)c1 Show InChI InChI=1S/C21H21F3N8O3/c22-21(23,24)35-15-3-1-2-13(8-15)9-26-20-27-10-14(11-28-20)19(34)25-6-4-18(33)32-7-5-16-17(12-32)30-31-29-16/h1-3,8,10-11H,4-7,9,12H2,(H,25,34)(H,26,27,28)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489292 (Example 1-2 | US10961242, Compound 2 | US11548883,...) Show SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)C(=O)NCCC(=O)N2CCc3[nH]nnc3C2)c1 Show InChI InChI=1S/C21H21F3N8O3/c22-21(23,24)35-15-3-1-2-13(8-15)9-26-20-27-10-14(11-28-20)19(34)25-6-4-18(33)32-7-5-16-17(12-32)30-31-29-16/h1-3,8,10-11H,4-7,9,12H2,(H,25,34)(H,26,27,28)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489386 (Example 12-14 | US10961242, Compound 93 | US115488...) Show SMILES O=C(Cn1cc(c(CCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O2/c40-28(38-8-6-26-27(18-38)34-36-33-26)19-39-17-24(25(35-39)5-7-37-9-11-41-12-10-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489370 (Example 12-4 | US10961242, Compound 83 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCc3ccccc23)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C32H32N10O/c43-31(41-12-10-27-29(19-41)37-39-36-27)20-42-17-26(28(38-42)18-40-11-9-21-5-3-4-8-30(21)40)24-15-33-32(34-16-24)35-25-13-22-6-1-2-7-23(22)14-25/h1-8,15-17,25H,9-14,18-20H2,(H,33,34,35)(H,36,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489370 (Example 12-4 | US10961242, Compound 83 | US1154888...) Show SMILES O=C(Cn1cc(c(CN2CCc3ccccc23)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C32H32N10O/c43-31(41-12-10-27-29(19-41)37-39-36-27)20-42-17-26(28(38-42)18-40-11-9-21-5-3-4-8-30(21)40)24-15-33-32(34-16-24)35-25-13-22-6-1-2-7-23(22)14-25/h1-8,15-17,25H,9-14,18-20H2,(H,33,34,35)(H,36,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489386 (Example 12-14 | US10961242, Compound 93 | US115488...) Show SMILES O=C(Cn1cc(c(CCN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C29H34N10O2/c40-28(38-8-6-26-27(18-38)34-36-33-26)19-39-17-24(25(35-39)5-7-37-9-11-41-12-10-37)22-15-30-29(31-16-22)32-23-13-20-3-1-2-4-21(20)14-23/h1-4,15-17,23H,5-14,18-19H2,(H,30,31,32)(H,33,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066873 (CHEMBL3401669) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:33:32:2.3.4:6,THB:33:3:6:34.32.7,7:32:2:4.5.6,7:5:2:34.33.32,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.7,2.03,;-18.88,3.25,;-19.66,1.26,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C26H31N5O4/c32-25(28-24-18-12-17-13-19(24)16-26(33,14-17)15-18)22-2-1-3-23(27-22)30-10-8-29(9-11-30)20-4-6-21(7-5-20)31(34)35/h1-7,17-19,24,33H,8-16H2,(H,28,32)/t17?,18?,19?,24-,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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489372 (Example 12-6 | US10961242, Compound 85 | US1154888...) Show SMILES FC1(F)CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1 Show InChI InChI=1S/C29H32F2N10O/c30-29(31)6-9-39(10-7-29)16-25-23(15-41(37-25)18-27(42)40-8-5-24-26(17-40)36-38-35-24)21-13-32-28(33-14-21)34-22-11-19-3-1-2-4-20(19)12-22/h1-4,13-15,22H,5-12,16-18H2,(H,32,33,34)(H,35,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489336 (Example 8-1 | US10961242, Compound 56 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(31-6-5-20-21(13-31)29-30-28-20)14-32-12-18(11-26-32)17-9-24-23(25-10-17)27-19-7-15-3-1-2-4-16(15)8-19/h1-4,9-12,19H,5-8,13-14H2,(H,24,25,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489301 (Example 2-5 | US10961242, Compound 16 | US11548883...) Show SMILES O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCC(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C28H29N5O3/c34-26(8-6-18-5-7-24-25(13-18)36-28(35)32-24)33-11-9-19(10-12-33)22-16-29-27(30-17-22)31-23-14-20-3-1-2-4-21(20)15-23/h1-5,7,13,16-17,19,23H,6,8-12,14-15H2,(H,32,35)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489336 (Example 8-1 | US10961242, Compound 56 | US11548883...) Show SMILES O=C(Cn1cc(cn1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1 Show InChI InChI=1S/C23H23N9O/c33-22(31-6-5-20-21(13-31)29-30-28-20)14-32-12-18(11-26-32)17-9-24-23(25-10-17)27-19-7-15-3-1-2-4-16(15)8-19/h1-4,9-12,19H,5-8,13-14H2,(H,24,25,27)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50066880 (CHEMBL3401662) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cccc(n1)C1CCN(CC1)c1ccc(cc1)C#N)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:32:31:2.3.4:6,THB:32:3:6:33.31.7,7:31:2:4.5.6,7:5:2:33.32.31,8:7:2.3.4:6,(2.78,1.14,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-4.99,.63,;-6.03,-1.55,;-5.81,-3.07,;-7.01,-4.02,;-8.45,-3.45,;-8.67,-1.93,;-7.46,-.98,;-10.1,-1.36,;-10.32,.16,;-11.76,.73,;-12.96,-.23,;-12.74,-1.75,;-11.31,-2.32,;-14.4,.34,;-14.62,1.86,;-16.06,2.43,;-17.26,1.47,;-17.03,-.05,;-15.6,-.62,;-18.69,2.04,;-19.84,2.49,;-1.2,1.02,;-1.2,2.69,;.34,.44,)| Show InChI InChI=1S/C28H32N4O2/c29-17-18-4-6-23(7-5-18)32-10-8-20(9-11-32)24-2-1-3-25(30-24)27(33)31-26-21-12-19-13-22(26)16-28(34,14-19)15-21/h1-7,19-22,26,34H,8-16H2,(H,31,33)/t19?,21?,22?,26-,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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay				Bioorg Med Chem Lett 25: 1679-83 (2015) Article DOI: 10.1016/j.bmcl.2015.03.003 BindingDB Entry DOI: 10.7270/Q2X3504Q
					More data for this Ligand-Target Pair

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