Compile Data Set for Download or QSAR

Found 364 hits with Last Name = 'choi' and Initial = 'n'   

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
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50568146 (CHEMBL1481541) Show SMILES COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Noncompetitive inhibition of mushroom tyrosinase assessed as dissociation constant using L-DOPA as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116222 BindingDB Entry DOI: 10.7270/Q24171T1
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250432 (US9464044, 22) Show SMILES CN(CC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |r,wU:9.9,TLB:8:9:13:16.17.15,18:16:13:9.10.11,19:16:9:13.12.11,THB:18:10:13:16.17.15,17:16:9:13.12.11,17:12:9:16.18.15,(-3.29,2.5,;-3.29,.96,;-1.95,.19,;-.62,.96,;.15,2.3,;-1.39,2.3,;.72,.19,;.72,-1.35,;2.05,.96,;3.38,.19,;4.72,.96,;3.96,-.2,;3.94,-2.6,;2.55,-3.25,;3.38,-1.35,;4.72,-2.12,;6.04,-1.35,;5.15,-3.27,;6.04,.19,;7.53,-1.75,;8.62,-.66,;7.93,-3.23,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-5.95,.96,;-5.95,2.5,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;-7.29,-1.35,)| Show InChI InChI=1S/C23H30FN3O4S/c1-27(32(30,31)18-5-3-2-4-17(18)24)13-22(6-7-22)21(29)26-19-15-8-14-9-16(19)12-23(10-14,11-15)20(25)28/h2-5,14-16,19H,6-13H2,1H3,(H2,25,28)(H,26,29)/t14?,15?,16?,19-,23?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250460 (US9464044, 62) Show SMILES CN(C1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1cccc(Cl)c1 |r,wU:8.8,TLB:18:15:8:12.11.10,7:8:12:15.16.14,17:15:12:8.9.10,THB:16:15:8:12.11.10,16:11:8:15.17.14,17:9:12:15.16.14,(-1.95,-1.73,;-1.95,-.19,;-.62,.58,;.15,1.91,;-1.39,1.91,;.72,-.19,;.72,-1.73,;2.05,.58,;3.38,-.19,;4.72,.58,;3.96,-.59,;3.94,-2.99,;2.55,-3.63,;3.38,-1.73,;4.72,-2.5,;6.04,-1.73,;5.15,-3.66,;6.04,-.19,;7.53,-2.13,;8.62,-1.04,;7.93,-3.62,;-3.29,.58,;-2.52,1.91,;-4.06,-.76,;-4.62,1.35,;-4.62,2.89,;-5.95,3.66,;-7.29,2.89,;-7.29,1.35,;-8.62,.58,;-5.95,.58,)| Show InChI InChI=1S/C22H28ClN3O4S/c1-26(31(29,30)17-4-2-3-16(23)9-17)22(5-6-22)20(28)25-18-14-7-13-8-15(18)12-21(10-13,11-14)19(24)27/h2-4,9,13-15,18H,5-8,10-12H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250418 (US9464044, 8) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4F)CC1)C(C3)C2 |r,wU:9.10,TLB:10:9:30:3.4.31,8:3:30:9.7.6,1:3:9:30.5.6,THB:8:7:30:3.4.31,4:3:9:30.5.6,4:5:9:3.8.31,(9.29,-.66,;8.2,-1.75,;8.6,-3.23,;6.71,-1.35,;5.81,-3.27,;4.61,-2.6,;4.63,-.2,;5.38,.96,;6.71,.19,;4.05,.19,;2.72,.96,;1.38,.19,;1.38,-1.35,;.05,.96,;-1.29,.19,;-2.62,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-5.29,.96,;-5.29,2.5,;-6.62,3.27,;-7.95,2.5,;-7.95,.96,;-9.29,.19,;-6.62,.19,;-6.62,-1.35,;.82,2.3,;-.72,2.3,;4.05,-1.35,;3.22,-3.25,;5.38,-2.12,)| Show InChI InChI=1S/C22H27ClFN3O4S/c23-15-2-1-3-16(17(15)24)32(30,31)26-11-21(4-5-21)20(29)27-18-13-6-12-7-14(18)10-22(8-12,9-13)19(25)28/h1-3,12-14,18,26H,4-11H2,(H2,25,28)(H,27,29)/t12?,13?,14?,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155552 (US9012461, 28) Show SMILES CN1CCc2cc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)ccc2C1 Show InChI InChI=1S/C25H26F3N5O/c1-33-11-10-18-12-20(8-6-19(18)15-33)31-24-30-14-21(25(26,27)28)22(32-24)9-7-16-4-2-3-5-17(16)13-23(29)34/h2-6,8,12,14H,7,9-11,13,15H2,1H3,(H2,29,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112152 (CHEMBL3608401 | US9464044, 84) Show SMILES CC(C)(NS(=O)(=O)c1c(F)cccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:18.18,TLB:22:23:27:26.20.21,22:21:27:18.23.24,18:19:26:23.22.24,THB:17:18:27:26.20.21,18:23:26:27.20.19,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-11.14,-3.53,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-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,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H27F2N3O4S/c1-20(2,26-31(29,30)17-14(22)4-3-5-15(17)23)19(28)25-16-12-6-11-7-13(16)10-21(8-11,9-12)18(24)27/h3-5,11-13,16,26H,6-10H2,1-2H3,(H2,24,27)(H,25,28)/t11?,12?,13?,16-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155547 (US9012461, 23) Show SMILES CC(=O)N1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38/h2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250453 (US9464044, 50) Show SMILES Cn1ccc2cccc(c12)S(=O)(=O)NC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:20.22,TLB:29:27:24:20.21.22,30:27:20:24.23.22,19:20:24:27.28.26,THB:29:21:24:27.28.26,28:27:20:24.23.22,28:23:20:27.29.26,(-5.28,-2.02,;-6.37,-.93,;-7.9,-1.09,;-8.53,.32,;-7.38,1.35,;-7.38,2.89,;-6.05,3.66,;-4.71,2.89,;-4.71,1.35,;-6.05,.58,;-3.38,.58,;-2.61,1.91,;-4.15,-.76,;-2.05,-.19,;-.71,.58,;.06,1.91,;-1.48,1.91,;.62,-.19,;.62,-1.73,;1.95,.58,;3.29,-.19,;4.62,.58,;3.87,-.59,;3.85,-2.99,;2.45,-3.63,;3.29,-1.73,;4.62,-2.5,;5.95,-1.73,;5.05,-3.66,;5.95,-.19,;7.44,-2.13,;8.53,-1.04,;7.84,-3.62,)| Show InChI InChI=1S/C24H30N4O4S/c1-28-8-5-15-3-2-4-18(20(15)28)33(31,32)27-24(6-7-24)22(30)26-19-16-9-14-10-17(19)13-23(11-14,12-16)21(25)29/h2-5,8,14,16-17,19,27H,6-7,9-13H2,1H3,(H2,25,29)(H,26,30)/t14?,16?,17?,19-,23?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112133 (CHEMBL3609861 | US9464044, 71) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:16:17:21:23.25.24,26:24:21:19.18.17,THB:27:24:21:19.18.17,27:24:21.20.19:17,25:20:17:23.24.26,25:24:21.20.19:17,26:18:21:23.25.24,(-5.85,-2.77,;-6.03,-1.55,;-7,-2.31,;-7.46,-.97,;-8.67,-1.93,;-8.49,-3.15,;-7.53,-2.38,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-9.35,.93,;-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,;1.56,2.59,;.56,-.22,;3.07,1.17,;3.58,2.29,;3.79,.17,)| Show InChI InChI=1S/C21H28FN3O4S/c1-20(2,25-30(28,29)16-6-4-3-5-15(16)22)19(27)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)26/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155537 (US9012461, 13) Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)35-12-14-36(15-13-35)22-9-7-21(8-10-22)33-26-32-17-23(27(28,29)30)24(34-26)11-6-19-4-2-3-5-20(19)16-25(31)38/h2-5,7-10,17H,6,11-16H2,1H3,(H2,31,38)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304788 (CHEMBL594160 | methyl 4-(3-chloro-4-methoxybenzyla...) Show SMILES COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C22H25ClN4O5/c1-27(22(29)32-4)17-10-15-19(14(7-8-28)20(17)31-3)25-12-26-21(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,7-8,11H2,1-4H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155548 (US9012461, 24) Show SMILES CC(=O)C1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H30F3N5O2/c1-18(37)19-12-14-36(15-13-19)23-9-7-22(8-10-23)34-27-33-17-24(28(29,30)31)25(35-27)11-6-20-4-2-3-5-21(20)16-26(32)38/h2-5,7-10,17,19H,6,11-16H2,1H3,(H2,32,38)(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155544 (US9012461, 20) Show SMILES NC1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36/h1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.810	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112143 (CHEMBL3609871 | US9464044, 73) Show SMILES CC(C)(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:17.17,TLB:21:22:26:25.19.20,21:20:26:17.22.23,17:18:25:22.21.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-13.71,-2.5,;-11.31,-2.31,;-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,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H28ClN3O4S/c1-20(2,25-30(28,29)16-5-3-4-15(22)8-16)19(27)24-17-13-6-12-7-14(17)11-21(9-12,10-13)18(23)26/h3-5,8,12-14,17,25H,6-7,9-11H2,1-2H3,(H2,23,26)(H,24,27)/t12?,13?,14?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250486 (US9464044, 119) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:32:3.4.33,8:3:32:9.7.6,1:3:9:32.5.6,THB:8:7:32:3.4.33,4:3:9:32.5.6,4:5:9:3.8.33,(9.95,-.46,;8.87,-1.55,;9.26,-3.04,;7.38,-1.15,;6.48,-3.08,;5.28,-2.41,;5.29,-.01,;6.05,1.15,;7.38,.38,;4.72,.38,;3.38,1.15,;2.05,.38,;2.05,-1.15,;.72,1.15,;.72,2.69,;-.62,3.47,;-1.95,2.69,;-1.95,1.15,;-3.29,.38,;-4.62,1.15,;-4.62,2.69,;-3.53,2.24,;-5.95,.38,;-7.29,1.15,;-8.62,.38,;-9.95,1.15,;-8.62,-1.15,;-7.29,-1.93,;-7.29,-3.47,;-5.95,-1.15,;-.62,.38,;4.72,-1.15,;3.88,-3.06,;6.05,-1.93,)| Show InChI InChI=1S/C24H25Cl2N3O4S/c25-17-7-18(26)9-20(8-17)34(32,33)29-19-3-1-2-14(6-19)22(30)28-21-15-4-13-5-16(21)12-24(10-13,11-15)23(27)31/h1-3,6-9,13,15-16,21,29H,4-5,10-12H2,(H2,27,31)(H,28,30)/t13?,15?,16?,21-,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304792 (CHEMBL595104 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES COc1ccc(CNc2ncnc3c(CCO)c(OC)c(cc23)N(C)C(=O)C2CC2)cc1Cl Show InChI InChI=1S/C24H27ClN4O4/c1-29(24(31)15-5-6-15)19-11-17-21(16(8-9-30)22(19)33-3)27-13-28-23(17)26-12-14-4-7-20(32-2)18(25)10-14/h4,7,10-11,13,15,30H,5-6,8-9,12H2,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50246252 (CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50246252 (CHEMBL521075 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C22H25ClN4O4/c1-4-19(29)27-17-10-15-20(14(7-8-28)21(17)31-3)25-12-26-22(15)24-11-13-5-6-18(30-2)16(23)9-13/h5-6,9-10,12,28H,4,7-8,11H2,1-3H3,(H,27,29)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine PDE5				Bioorg Med Chem Lett 18: 6279-82 (2008) Article DOI: 10.1016/j.bmcl.2008.09.108 BindingDB Entry DOI: 10.7270/Q2SB45MV
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304790 (CHEMBL595330 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCN(C(=O)CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C24H29ClN4O4/c1-5-21(31)29(6-2)19-12-17-22(16(9-10-30)23(19)33-4)27-14-28-24(17)26-13-15-7-8-20(32-3)18(25)11-15/h7-8,11-12,14,30H,5-6,9-10,13H2,1-4H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50304789 (CHEMBL604271 | N-(4-(3-chloro-4-methoxybenzylamino...) Show SMILES CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC Show InChI InChI=1S/C23H27ClN4O4/c1-5-20(30)28(2)18-11-16-21(15(8-9-29)22(18)32-4)26-13-27-23(16)25-12-14-6-7-19(31-3)17(24)10-14/h6-7,10-11,13,29H,5,8-9,12H2,1-4H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Chong Kun Dang Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 20: 383-6 (2010) Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155527 (US9012461, 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-34-12-14-35(15-13-34)21-9-7-20(8-10-21)32-25-31-17-22(26(27,28)29)23(33-25)11-6-18-4-2-3-5-19(18)16-24(30)36/h2-5,7-10,17H,6,11-16H2,1H3,(H2,30,36)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.0	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250474 (US9464044, 102) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc(NS(=O)(=O)c4cccs4)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:29:3.4.30,8:3:29:9.7.6,1:3:9:29.5.6,THB:8:7:29:3.4.30,4:3:9:29.5.6,4:5:9:3.8.30,(9.14,-.66,;8.05,-1.75,;8.45,-3.23,;6.56,-1.35,;5.67,-3.27,;4.46,-2.6,;4.48,-.2,;5.23,.96,;6.56,.19,;3.9,.19,;2.57,.96,;1.23,.19,;1.23,-1.35,;-.1,.96,;-.1,2.5,;-1.43,3.27,;-2.77,2.5,;-2.77,.96,;-4.1,.19,;-5.44,.96,;-5.44,2.5,;-4.35,2.05,;-6.77,.19,;-6.77,-1.35,;-8.23,-1.82,;-9.14,-.58,;-8.23,.67,;-1.43,.19,;3.9,-1.35,;3.07,-3.25,;5.23,-2.12,)| Show InChI InChI=1S/C22H25N3O4S2/c23-21(27)22-10-13-7-15(11-22)19(16(8-13)12-22)24-20(26)14-3-1-4-17(9-14)25-31(28,29)18-5-2-6-30-18/h1-6,9,13,15-16,19,25H,7-8,10-12H2,(H2,23,27)(H,24,26)/t13?,15?,16?,19-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250435 (US9464044, 26) Show SMILES Cn1ccc2cc(ccc12)S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:21.23,TLB:30:28:25:21.22.23,31:28:21:25.24.23,20:21:25:28.29.27,THB:30:22:25:28.29.27,29:28:21:25.24.23,29:24:21:28.30.27,(-9.67,3.79,;-8.9,2.46,;-9.81,1.21,;-8.9,-.03,;-7.44,.44,;-6.1,-.33,;-4.77,.44,;-4.77,1.98,;-6.1,2.75,;-7.44,1.98,;-3.43,-.33,;-4.2,-1.66,;-2.66,-1.66,;-2.1,.44,;-.77,-.33,;.57,.44,;1.34,1.78,;-.2,1.78,;1.9,-.33,;1.9,-1.87,;3.23,.44,;4.57,-.33,;5.9,.44,;5.15,-.72,;5.13,-3.12,;3.73,-3.77,;4.57,-1.87,;5.9,-2.64,;7.23,-1.87,;6.33,-3.79,;7.23,-.33,;8.72,-2.27,;9.81,-1.18,;9.12,-3.75,)| Show InChI InChI=1S/C25H32N4O4S/c1-29-7-4-16-10-19(2-3-20(16)29)34(32,33)27-14-24(5-6-24)23(31)28-21-17-8-15-9-18(21)13-25(11-15,12-17)22(26)30/h2-4,7,10,15,17-18,21,27H,5-6,8-9,11-14H2,1H3,(H2,26,30)(H,28,31)/t15?,17?,18?,21-,25?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250466 (US9464044, 72) Show SMILES CN(C(C)(C)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |r,wU:8.7,TLB:18:15:8:12.11.10,7:8:12:15.16.14,17:15:12:8.9.10,THB:16:15:8:12.11.10,16:11:8:15.17.14,17:9:12:15.16.14,(-2.62,-.96,;-2.62,.58,;-1.29,1.35,;-.52,2.68,;-2.06,2.68,;.05,.58,;.05,-.96,;1.38,1.35,;2.72,.58,;4.05,1.35,;3.29,.18,;3.28,-2.22,;1.88,-2.86,;2.72,-.96,;4.05,-1.73,;5.38,-.96,;4.48,-2.89,;5.38,.58,;6.86,-1.36,;7.95,-.27,;7.26,-2.85,;-3.95,1.35,;-3.95,2.89,;-3.95,-.19,;-5.29,.58,;-5.29,-.96,;-6.62,-1.73,;-7.95,-.96,;-7.95,.58,;-6.62,1.35,;-6.62,2.89,)| Show InChI InChI=1S/C22H30FN3O4S/c1-21(2,26(3)31(29,30)17-7-5-4-6-16(17)23)20(28)25-18-14-8-13-9-15(18)12-22(10-13,11-14)19(24)27/h4-7,13-15,18H,8-12H2,1-3H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250436 (US9464044, 28) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4)CC1)C(C3)C2 |r,wU:9.10,TLB:1:3:9:28.5.6,10:9:28:3.4.29,8:3:28:9.7.6,THB:4:3:9:28.5.6,4:5:9:3.8.29,8:7:28:3.4.29,(8.62,-.66,;7.53,-1.75,;7.93,-3.23,;6.04,-1.35,;5.15,-3.27,;3.94,-2.6,;3.96,-.2,;4.72,.96,;6.04,.19,;3.38,.19,;2.05,.96,;.72,.19,;.72,-1.35,;-.62,.96,;-1.95,.19,;-3.29,.96,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-5.95,.96,;-5.95,2.5,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;.15,2.3,;-1.39,2.3,;3.38,-1.35,;2.55,-3.25,;4.72,-2.12,)| Show InChI InChI=1S/C22H29N3O4S/c23-19(26)22-10-14-8-15(11-22)18(16(9-14)12-22)25-20(27)21(6-7-21)13-24-30(28,29)17-4-2-1-3-5-17/h1-5,14-16,18,24H,6-13H2,(H2,23,26)(H,25,27)/t14?,15?,16?,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250437 (US9464044, 31) Show SMILES CN(CC1(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccccc1F |TLB:12:13:11.10.16:17,16:11:18:15.14.17,16:15:18:12.11.10,THB:12:11:18.13.14:17| Show InChI InChI=1S/C22H29FN2O3S/c1-25(29(27,28)19-5-3-2-4-18(19)23)14-21(6-7-21)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-14H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250438 (US9464044, 32) Show SMILES CCN(CC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |r,wU:10.10,TLB:20:17:10:14.13.12,9:10:14:17.18.16,19:17:14:10.11.12,THB:18:17:10:14.13.12,18:13:10:17.19.16,19:11:14:17.18.16,(-4.6,3.27,;-3.27,2.5,;-3.29,.96,;-1.95,.19,;-.62,.96,;.15,2.3,;-1.39,2.3,;.72,.19,;.72,-1.35,;2.05,.96,;3.38,.19,;4.72,.96,;3.96,-.2,;3.94,-2.6,;2.55,-3.25,;3.38,-1.35,;4.72,-2.12,;6.04,-1.35,;5.15,-3.27,;6.04,.19,;7.53,-1.75,;8.62,-.66,;7.93,-3.23,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-5.95,.96,;-5.95,2.5,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;-7.29,-1.35,)| Show InChI InChI=1S/C24H32FN3O4S/c1-2-28(33(31,32)19-6-4-3-5-18(19)25)14-23(7-8-23)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(26)29/h3-6,15-17,20H,2,7-14H2,1H3,(H2,26,29)(H,27,30)/t15?,16?,17?,20-,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250439 (US9464044, 33) Show SMILES OCCC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4ccccc4F)CC1)C(C3)C2 |r,wU:11.12,TLB:3:5:11:31.7.8,12:11:31:5.6.32,10:5:31:11.9.8,THB:6:5:11:31.7.8,6:7:11:5.10.32,10:9:31:5.6.32,(9.91,.03,;8.82,-1.06,;7.33,-.66,;6.24,-1.75,;6.64,-3.23,;4.76,-1.35,;3.86,-3.27,;2.66,-2.6,;2.67,-.2,;3.43,.96,;4.76,.19,;2.09,.19,;.76,.96,;-.57,.19,;-.57,-1.35,;-1.91,.96,;-3.24,.19,;-4.57,.96,;-5.91,.19,;-6.68,-1.14,;-5.14,-1.14,;-7.24,.96,;-7.24,2.5,;-8.58,3.27,;-9.91,2.5,;-9.91,.96,;-8.58,.19,;-8.58,-1.35,;-1.14,2.3,;-2.68,2.3,;2.09,-1.35,;1.26,-3.25,;3.43,-2.12,)| Show InChI InChI=1S/C24H31FN2O5S/c25-18-3-1-2-4-19(18)33(31,32)26-14-23(6-7-23)22(30)27-21-16-9-15-10-17(21)13-24(11-15,12-16)20(29)5-8-28/h1-4,15-17,21,26,28H,5-14H2,(H,27,30)/t15?,16?,17?,21-,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155528 (US9012461, 4) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCCNC2)ncc1C(F)(F)F Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)22-16-32-25(33-21-10-7-18(8-11-21)20-6-3-13-31-15-20)34-23(22)12-9-17-4-1-2-5-19(17)14-24(30)35/h1-2,4-5,7-8,10-11,16,20,31H,3,6,9,12-15H2,(H2,30,35)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250444 (US9464044, 40) Show SMILES Cc1cccc(F)c1S(=O)(=O)NC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:18.19,TLB:27:25:22:18.19.20,28:25:18:22.21.20,17:18:22:25.26.24,THB:27:19:22:25.26.24,26:25:18:22.21.20,26:21:18:25.27.24,(-3.95,3.66,;-5.29,2.89,;-6.62,3.66,;-7.95,2.89,;-7.95,1.35,;-6.62,.58,;-6.62,-.96,;-5.29,1.35,;-3.95,.58,;-3.18,1.91,;-4.72,-.76,;-2.62,-.19,;-1.29,.58,;-.52,1.91,;-2.06,1.91,;.05,-.19,;.05,-1.73,;1.38,.58,;2.72,-.19,;4.05,.58,;3.29,-.59,;3.28,-2.99,;1.88,-3.63,;2.72,-1.73,;4.05,-2.5,;5.38,-1.73,;4.48,-3.66,;5.38,-.19,;6.86,-2.13,;7.95,-1.04,;7.26,-3.62,)| Show InChI InChI=1S/C22H28FN3O4S/c1-12-3-2-4-16(23)18(12)31(29,30)26-22(5-6-22)20(28)25-17-14-7-13-8-15(17)11-21(9-13,10-14)19(24)27/h2-4,13-15,17,26H,5-11H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155527 (US9012461, 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H29F3N6O/c1-34-12-14-35(15-13-34)21-9-7-20(8-10-21)32-25-31-17-22(26(27,28)29)23(33-25)11-6-18-4-2-3-5-19(18)16-24(30)36/h2-5,7-10,17H,6,11-16H2,1H3,(H2,30,36)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250472 (US9464044, 99) Show SMILES CN(c1cccc(c1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1C(F)(F)F |r,wU:11.11,TLB:10:11:15:18.19.17,20:18:15:11.12.13,21:18:11:15.14.13,THB:20:12:15:18.19.17,19:18:11:15.14.13,19:14:11:18.20.17,(-3.85,-1.73,;-3.85,-.19,;-2.52,.58,;-2.52,2.12,;-1.18,2.89,;.15,2.12,;.15,.58,;-1.18,-.19,;1.49,-.19,;1.49,-1.73,;2.82,.58,;4.15,-.19,;5.49,.58,;4.73,-.59,;4.71,-2.99,;3.32,-3.63,;4.15,-1.73,;5.49,-2.5,;6.81,-1.73,;5.92,-3.66,;6.81,-.19,;8.3,-2.13,;9.39,-1.04,;8.7,-3.62,;-5.18,.58,;-5.18,2.12,;-3.85,1.35,;-6.52,-.19,;-6.52,-1.73,;-7.85,-2.5,;-9.18,-1.73,;-9.18,-.19,;-7.85,.58,;-7.85,2.12,;-7.85,3.66,;-9.39,2.12,;-6.31,2.12,)| Show InChI InChI=1S/C26H28F3N3O4S/c1-32(37(35,36)21-8-3-2-7-20(21)26(27,28)29)19-6-4-5-16(11-19)23(33)31-22-17-9-15-10-18(22)14-25(12-15,13-17)24(30)34/h2-8,11,15,17-18,22H,9-10,12-14H2,1H3,(H2,30,34)(H,31,33)/t15?,17?,18?,22-,25?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155540 (US9012461, 16) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H30F3N5O/c1-35-14-12-20(13-15-35)19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-18-4-2-3-5-21(18)16-25(31)36/h2-7,9-10,17,20H,8,11-16H2,1H3,(H2,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112142 (CHEMBL3609870 | US9464044, 81) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wD:16.16,TLB:20:21:25:24.18.19,20:19:25:16.21.22,16:17:24:21.20.22,THB:15:16:25:24.18.19,16:21:24:25.18.17,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-11.31,-2.31,;-12.74,-1.74,;-12.96,-.21,;-11.75,.74,;-10.32,.17,;-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,;1.56,2.59,;.56,-.22,;3.07,1.15,;3.78,.15,;3.59,2.27,)| Show InChI InChI=1S/C21H29N3O4S/c1-20(2,24-29(27,28)16-6-4-3-5-7-16)19(26)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)25/h3-7,13-15,17,24H,8-12H2,1-2H3,(H2,22,25)(H,23,26)/t13?,14?,15?,17-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155525 (US9012461, 1) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(F)(F)F Show InChI InChI=1S/C25H27F3N6O/c26-25(27,28)21-16-31-24(32-19-6-8-20(9-7-19)34-13-11-30-12-14-34)33-22(21)10-5-17-3-1-2-4-18(17)15-23(29)35/h1-4,6-9,16,30H,5,10-15H2,(H2,29,35)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155560 (US9012461, 36) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112127 (CHEMBL3608407 | US9464044, 76) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(CO)(C3)C2 |r,wD:17.17,TLB:21:22:28:27.19.20,21:20:28:17.22.23,17:18:27:22.21.23,THB:16:17:28:27.19.20,17:22:27:28.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;3.07,1.15,;3.59,2.27,;1.56,2.59,;.56,-.22,)| Show InChI InChI=1S/C21H29FN2O4S/c1-20(2,24-29(27,28)17-6-4-3-5-16(17)22)19(26)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-25/h3-6,13-15,18,24-25H,7-12H2,1-2H3,(H,23,26)/t13?,14?,15?,18-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155529 (US9012461, 5 | US9012461, 7) Show SMILES CN1CCCC(C1)c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H30F3N5O/c1-35-14-4-7-21(17-35)19-8-11-22(12-9-19)33-26-32-16-23(27(28,29)30)24(34-26)13-10-18-5-2-3-6-20(18)15-25(31)36/h2-3,5-6,8-9,11-12,16,21H,4,7,10,13-15,17H2,1H3,(H2,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155545 (US9012461, 21) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc3CNCCc3c2)ncc1C(F)(F)F Show InChI InChI=1S/C24H24F3N5O/c25-24(26,27)20-14-30-23(31-19-7-5-18-13-29-10-9-17(18)11-19)32-21(20)8-6-15-3-1-2-4-16(15)12-22(28)33/h1-5,7,11,14,29H,6,8-10,12-13H2,(H2,28,33)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155526 (US9012461, 2) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(c(CCc3cccc(c3)C(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H27F3N6O/c1-33-11-13-34(14-12-33)20-8-6-19(7-9-20)31-24-30-16-21(25(26,27)28)22(32-24)10-5-17-3-2-4-18(15-17)23(29)35/h2-4,6-9,15-16H,5,10-14H2,1H3,(H2,29,35)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155535 (US9012461, 11) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CCNCC2)ncc1C(F)(F)F Show InChI InChI=1S/C26H28F3N5O/c27-26(28,29)22-16-32-25(33-21-8-5-18(6-9-21)19-11-13-31-14-12-19)34-23(22)10-7-17-3-1-2-4-20(17)15-24(30)35/h1-6,8-9,16,19,31H,7,10-15H2,(H2,30,35)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155533 (US9012461, 9) Show SMILES CN1CCCCC1c1ccc(Nc2ncc(c(CCc3ccccc3CC(N)=O)n2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H30F3N5O/c1-35-15-5-4-8-24(35)19-9-12-21(13-10-19)33-26-32-17-22(27(28,29)30)23(34-26)14-11-18-6-2-3-7-20(18)16-25(31)36/h2-3,6-7,9-10,12-13,17,24H,4-5,8,11,14-16H2,1H3,(H2,31,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.0	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequ...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250420 (US9464044, 10) Show SMILES Cc1cccc(F)c1S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:19.20,TLB:18:19:23:26.27.25,28:26:23:19.20.21,29:26:19:23.22.21,THB:28:20:23:26.27.25,27:26:19:23.22.21,27:22:19:26.28.25,(-4.62,3.27,;-5.95,2.5,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;-7.29,-1.35,;-5.95,.96,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-3.29,.96,;-1.95,.19,;-.62,.96,;.15,2.3,;-1.39,2.3,;.72,.19,;.72,-1.35,;2.05,.96,;3.38,.19,;4.72,.96,;3.96,-.2,;3.94,-2.6,;2.55,-3.25,;3.38,-1.35,;4.72,-2.12,;6.04,-1.35,;5.15,-3.27,;6.04,.19,;7.53,-1.75,;8.62,-.66,;7.93,-3.23,)| Show InChI InChI=1S/C23H30FN3O4S/c1-13-3-2-4-17(24)19(13)32(30,31)26-12-22(5-6-22)21(29)27-18-15-7-14-8-16(18)11-23(9-14,10-15)20(25)28/h2-4,14-16,18,26H,5-12H2,1H3,(H2,25,28)(H,27,29)/t14?,15?,16?,18-,23?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50112126 (CHEMBL3608406 | US9464044, 74) Show SMILES CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C#N |r,wD:17.17,TLB:17:18:25:22.21.23,21:22:26:25.19.20,21:20:26:17.22.23,THB:16:17:26:25.19.20,17:22:25:26.19.18,(-7,-2.31,;-6.03,-1.55,;-5.85,-2.77,;-7.46,-.97,;-8.67,-1.93,;-7.53,-2.38,;-8.49,-3.15,;-10.1,-1.35,;-10.32,.17,;-11.75,.74,;-12.96,-.21,;-12.74,-1.74,;-11.31,-2.31,;-11.14,-3.53,;-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,;1.56,2.59,;.56,-.22,;3.07,1.15,;4.3,1.26,)| Show InChI InChI=1S/C21H26FN3O3S/c1-20(2,25-29(27,28)17-6-4-3-5-16(17)22)19(26)24-18-14-7-13-8-15(18)11-21(9-13,10-14)12-23/h3-6,13-15,18,25H,7-11H2,1-2H3,(H,24,26)/t13?,14?,15?,18-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250417 (US9464044, 7) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)C1(CNS(=O)(=O)c4cccc(Cl)c4)CC1)C(C3)C2 |r,wU:9.10,TLB:8:3:29:9.7.6,1:3:9:29.5.6,10:9:29:3.4.30,THB:8:7:29:3.4.30,4:3:9:29.5.6,4:5:9:3.8.30,(9.29,-.66,;8.2,-1.75,;8.6,-3.23,;6.71,-1.35,;5.81,-3.27,;4.61,-2.6,;4.63,-.2,;5.38,.96,;6.71,.19,;4.05,.19,;2.72,.96,;1.38,.19,;1.38,-1.35,;.05,.96,;-1.29,.19,;-2.62,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-5.29,.96,;-5.29,2.5,;-6.62,3.27,;-7.95,2.5,;-7.95,.96,;-9.29,.19,;-6.62,.19,;.82,2.3,;-.72,2.3,;4.05,-1.35,;3.22,-3.25,;5.38,-2.12,)| Show InChI InChI=1S/C22H28ClN3O4S/c23-16-2-1-3-17(8-16)31(29,30)25-12-21(4-5-21)20(28)26-18-14-6-13-7-15(18)11-22(9-13,10-14)19(24)27/h1-3,8,13-15,18,25H,4-7,9-12H2,(H2,24,27)(H,26,28)/t13?,14?,15?,18-,22?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250480 (US9464044, 113) Show SMILES NC(=O)C12CC3CC(C1)[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c4cccc(Cl)c4F)c1)C(C3)C2 |r,wU:9.10,TLB:10:9:32:3.4.33,8:3:32:9.7.6,1:3:9:32.5.6,THB:8:7:32:3.4.33,4:3:9:32.5.6,4:5:9:3.8.33,(9.95,-.66,;8.87,-1.75,;9.26,-3.23,;7.38,-1.35,;6.48,-3.27,;5.28,-2.6,;5.29,-.2,;6.05,.96,;7.38,.19,;4.72,.19,;3.38,.96,;2.05,.19,;2.05,-1.35,;.72,.96,;.72,2.5,;-.62,3.27,;-1.95,2.5,;-1.95,.96,;-3.29,.19,;-4.62,.96,;-4.62,2.5,;-3.29,1.73,;-5.95,.19,;-5.95,-1.35,;-7.29,-2.12,;-8.62,-1.35,;-8.62,.19,;-9.95,.96,;-7.29,.96,;-7.29,2.5,;-.62,.19,;4.72,-1.35,;3.88,-3.25,;6.05,-2.12,)| Show InChI InChI=1S/C24H24ClFN3O4S/c25-18-5-2-6-19(20(18)26)34(32,33)29-17-4-1-3-14(9-17)22(30)28-21-15-7-13-8-16(21)12-24(10-13,11-15)23(27)31/h1-6,9,13,15-16,21H,7-8,10-12H2,(H2,27,31)(H,28,30)/q-1/t13?,15?,16?,21-,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250416 (US9464044, 5) Show SMILES Cc1c(Cl)cccc1S(=O)(=O)NCC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:19.20,TLB:18:19:23:26.27.25,28:26:23:19.20.21,29:26:19:23.22.21,THB:28:20:23:26.27.25,27:26:19:23.22.21,27:22:19:26.28.25,(-6.62,-1.35,;-6.62,.19,;-7.95,.96,;-9.29,.19,;-7.95,2.5,;-6.62,3.27,;-5.29,2.5,;-5.29,.96,;-3.95,.19,;-4.72,-1.14,;-3.18,-1.14,;-2.62,.96,;-1.29,.19,;.05,.96,;.82,2.3,;-.72,2.3,;1.38,.19,;1.38,-1.35,;2.72,.96,;4.05,.19,;5.38,.96,;4.63,-.2,;4.61,-2.6,;3.22,-3.25,;4.05,-1.35,;5.38,-2.12,;6.71,-1.35,;5.81,-3.27,;6.71,.19,;8.2,-1.75,;9.29,-.66,;8.6,-3.23,)| Show InChI InChI=1S/C23H30ClN3O4S/c1-13-17(24)3-2-4-18(13)32(30,31)26-12-22(5-6-22)21(29)27-19-15-7-14-8-16(19)11-23(9-14,10-15)20(25)28/h2-4,14-16,19,26H,5-12H2,1H3,(H2,25,28)(H,27,29)/t14?,15?,16?,19-,23?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250459 (US9464044, 61) Show SMILES CN(C1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1ccccc1F |r,wU:8.8,TLB:18:15:8:12.11.10,7:8:12:15.16.14,17:15:12:8.9.10,THB:16:15:8:12.11.10,16:11:8:15.17.14,17:9:12:15.16.14,(-2.62,-1.73,;-2.62,-.19,;-1.29,.58,;-.52,1.91,;-2.06,1.91,;.05,-.19,;.05,-1.73,;1.38,.58,;2.72,-.19,;4.05,.58,;3.29,-.59,;3.28,-2.99,;1.88,-3.63,;2.72,-1.73,;4.05,-2.5,;5.38,-1.73,;4.48,-3.66,;5.38,-.19,;6.86,-2.13,;7.95,-1.04,;7.26,-3.62,;-3.95,.58,;-3.18,1.91,;-4.72,-.76,;-5.29,1.35,;-5.29,2.89,;-6.62,3.66,;-7.95,2.89,;-7.95,1.35,;-6.62,.58,;-6.62,-.96,)| Show InChI InChI=1S/C22H28FN3O4S/c1-26(31(29,30)17-5-3-2-4-16(17)23)22(6-7-22)20(28)25-18-14-8-13-9-15(18)12-21(10-13,11-14)19(24)27/h2-5,13-15,18H,6-12H2,1H3,(H2,24,27)(H,25,28)/t13?,14?,15?,18-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM250423 (US9464044, 13) Show SMILES CN(CC1(CC1)C(=O)N[C@H]1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)c1c(C)cccc1F |r,wU:9.9,TLB:8:9:13:16.17.15,18:16:13:9.10.11,19:16:9:13.12.11,THB:18:10:13:16.17.15,17:16:9:13.12.11,17:12:9:16.18.15,(-3.29,2.5,;-3.29,.96,;-1.95,.19,;-.62,.96,;.15,2.3,;-1.39,2.3,;.72,.19,;.72,-1.35,;2.05,.96,;3.38,.19,;4.72,.96,;3.96,-.2,;3.94,-2.6,;2.55,-3.25,;3.38,-1.35,;4.72,-2.12,;6.04,-1.35,;5.15,-3.27,;6.04,.19,;7.53,-1.75,;8.62,-.66,;7.93,-3.23,;-4.62,.19,;-5.39,-1.14,;-3.85,-1.14,;-5.95,.96,;-5.95,2.5,;-4.62,3.27,;-7.29,3.27,;-8.62,2.5,;-8.62,.96,;-7.29,.19,;-7.29,-1.35,)| Show InChI InChI=1S/C24H32FN3O4S/c1-14-4-3-5-18(25)20(14)33(31,32)28(2)13-23(6-7-23)22(30)27-19-16-8-15-9-17(19)12-24(10-15,11-16)21(26)29/h3-5,15-17,19H,6-13H2,1-2H3,(H2,26,29)(H,27,30)/t15?,16?,17?,19-,24?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	6.0	25
AHN-GOOK PHARMACEUTICAL CO., LTD.; BAMICHEM CO., LTD; INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION US Patent					Assay Description The inhibiting activity of 11β-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrat...				US Patent US9464044 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1JH0
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM155546 (US9012461, 22) Show SMILES NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(cc2)C2CNCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C25H26F3N5O2/c26-25(27,28)20-14-31-24(32-19-8-5-17(6-9-19)22-15-30-11-12-35-22)33-21(20)10-7-16-3-1-2-4-18(16)13-23(29)34/h1-6,8-9,14,22,30H,7,10-13,15H2,(H2,29,34)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.4	n/a
Cancer Therapeutics CRC Pty Ltd US Patent					Assay Description A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1S...				US Patent US9012461 (2015) BindingDB Entry DOI: 10.7270/Q2RN36K7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 364 total )  |  Next  |  Last  >>

Jump to: