Compile Data Set for Download or QSAR

Found 1883 hits with Last Name = 'park' and Initial = 'sj'   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Competitive inhibition of ALK5 (unknown origin) assessed as enzyme/ATP complex by Michaelis-Menten plot analysis in presence of ATP				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015639 (CHEMBL3260567 | USRE47141, Example 2) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Competitive inhibition of ALK5 (unknown origin) by Michaelis-Menten plot analysis in presence of ATP				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50240041 (1-phenyl-2-thiourea | 1-phenylthiourea | CHEMBL263...) Show SMILES NC(=S)Nc1ccccc1 Show InChI InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50499815 (CHEMBL3739883) Show SMILES NC(=S)c1ccccc1 Show InChI InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50481948 (Iguesterin | acs.jmedchem.1c00409_ST.224) Show SMILES [H][C@@]12CC(C)=CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C |r,c:4,24,t:14,16,19| Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50499816 (CHEMBL3740596) Show SMILES CC(=S)Nc1ccccc1 Show InChI InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50239976 (1314 TH | CHEBI:4885 | Ethionamide | Trecator | Tr...) Show SMILES CCc1cc(ccn1)C(N)=S Show InChI InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50499814 (Ektebin | Peteha | Prothionamide | Protionamide | ...) Show SMILES CCCc1cc(ccn1)C(N)=S Show InChI InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50499813 (CHEMBL3741839) Show SMILES NC(=S)c1ccccn1 Show InChI InChI=1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50481947 (CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...) Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19| Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50071055 ((6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,...) Show SMILES C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10| Show InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,29,31H,2,9-13,15H2,1,3-6H3/t16-,23-,25+,26+,27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot				Bioorg Med Chem Lett 20: 1873-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.152 BindingDB Entry DOI: 10.7270/Q28P63CF
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM60920 (thionicotinamide) Show SMILES NC(=S)c1cccnc1 Show InChI InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM53072 ((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...) Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50391431 (CHEMBL2146517 | acs.jmedchem.1c00409_ST.502) Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21 |r| Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM51317 (1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50129952 (2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis				Bioorg Med Chem 18: 7940-7 (2010) Article DOI: 10.1016/j.bmc.2010.09.035 BindingDB Entry DOI: 10.7270/Q2MG7SBP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50352810 (CHEMBL1711961) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C Show InChI InChI=1S/C21H22O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,19,22,24-25H,1,12H2,2-3H3/b10-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50352812 (CHEMBL1823414) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C\C=C(/C)CCC(O)C(C)=C Show InChI InChI=1S/C26H30O5/c1-17(2)23(28)14-6-18(3)5-12-22-25(31-4)16-13-21(26(22)30)24(29)15-9-19-7-10-20(27)11-8-19/h5,7-11,13,15-16,23,27-28,30H,1,6,12,14H2,2-4H3/b15-9+,18-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM76798 ((E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethy...) Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3| Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM50391429 (CHEMBL215254 | acs.jmedchem.1c00409_ST.620) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21 Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50499817 (CHEMBL2441351) Show SMILES NC(=S)c1ccncc1 Show InChI InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis				Eur J Med Chem 106: 157-66 (2015) Article DOI: 10.1016/j.ejmech.2015.10.033 BindingDB Entry DOI: 10.7270/Q2514270
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50323199 (5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-c...) Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)| Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis				Bioorg Med Chem 18: 7940-7 (2010) Article DOI: 10.1016/j.bmc.2010.09.035 BindingDB Entry DOI: 10.7270/Q2MG7SBP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50352808 (CHEMBL1823413) Show SMILES COC(CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)OC Show InChI InChI=1S/C24H28O6/c1-16(5-15-23(29-2)30-3)4-11-19-22(27)14-12-20(24(19)28)21(26)13-8-17-6-9-18(25)10-7-17/h4,6-10,12-14,23,25,27-28H,5,11,15H2,1-3H3/b13-8+,16-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50323206 (CHEMBL208908 | sciadopitisin | sciadopitysin) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)| Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,35-37H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis				Bioorg Med Chem 18: 7940-7 (2010) Article DOI: 10.1016/j.bmc.2010.09.035 BindingDB Entry DOI: 10.7270/Q2MG7SBP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50352809 (CHEMBL458094) Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50323196 (4'-methylamentoflavone | CHEMBL378188 | bilobetin) Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)| Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis				Bioorg Med Chem 18: 7940-7 (2010) Article DOI: 10.1016/j.bmc.2010.09.035 BindingDB Entry DOI: 10.7270/Q2MG7SBP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50352811 (CHEMBL1722838) Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...				Bioorg Med Chem Lett 21: 5602-4 (2011) Article DOI: 10.1016/j.bmcl.2011.06.130 BindingDB Entry DOI: 10.7270/Q2571CDW
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015959 (CHEMBL3260904) Show SMILES CN(C)c1ccc(cc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1)C#N Show InChI InChI=1S/C25H23N9/c1-16-5-4-6-19(30-16)25-24(18-8-10-23-28-15-29-34(23)14-18)31-22(32-25)13-27-20-11-17(12-26)7-9-21(20)33(2)3/h4-11,14-15,27H,13H2,1-3H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50261163 (CHEMBL4081756) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)| Show InChI InChI=1S/C23H22BrN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/CyclinA (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50261164 (CHEMBL4103221) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)| Show InChI InChI=1S/C23H22ClN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015952 (CHEMBL3260897) Show SMILES CN(C)Cc1c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cccc1C#N Show InChI InChI=1S/C26H25N9/c1-17-6-4-9-22(31-17)26-25(19-10-11-24-29-16-30-35(24)14-19)32-23(33-26)13-28-21-8-5-7-18(12-27)20(21)15-34(2)3/h4-11,14,16,28H,13,15H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015955 (CHEMBL3260900) Show SMILES CN(C)c1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(c1)C#N Show InChI InChI=1S/C25H23N9/c1-16-5-4-6-21(30-16)25-24(18-7-8-23-28-15-29-34(23)14-18)31-22(32-25)13-27-19-9-17(12-26)10-20(11-19)33(2)3/h4-11,14-15,27H,13H2,1-3H3,(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015946 (CHEMBL3260627) Show SMILES CN(C)c1ccc(F)c(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)c1 Show InChI InChI=1S/C24H23FN8/c1-15-5-4-6-19(29-15)24-23(16-7-10-22-27-14-28-33(22)13-16)30-21(31-24)12-26-20-11-17(32(2)3)8-9-18(20)25/h4-11,13-14,26H,12H2,1-3H3,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015960 (CHEMBL3260905) Show SMILES CN(C)Cc1ccc(cc1NCc1nc(c([nH]1)-c1cccc(C)n1)-c1ccc2ncnn2c1)C#N Show InChI InChI=1S/C26H25N9/c1-17-5-4-6-21(31-17)26-25(20-9-10-24-29-16-30-35(24)15-20)32-23(33-26)13-28-22-11-18(12-27)7-8-19(22)14-34(2)3/h4-11,15-16,28H,13-14H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015958 (CHEMBL3260903) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(CN3CCOCC3)cc(c2)C#N)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C28H27N9O/c1-19-3-2-4-24(33-19)28-27(22-5-6-26-31-18-32-37(26)17-22)34-25(35-28)15-30-23-12-20(14-29)11-21(13-23)16-36-7-9-38-10-8-36/h2-6,11-13,17-18,30H,7-10,15-16H2,1H3,(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50237650 (CHEMBL4071507) Show SMILES O=C1COC(=NN1)c1ccc(cc1)\N=N\c1ccccc1 |c:4| Show InChI InChI=1S/C15H12N4O2/c20-14-10-21-15(19-18-14)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,20)/b17-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...				Eur J Med Chem 130: 365-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.059 BindingDB Entry DOI: 10.7270/Q2K076J6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50261163 (CHEMBL4081756) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)| Show InChI InChI=1S/C23H22BrN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015962 (CHEMBL3260907) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(ccc2CN2CCOCC2)C#N)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C28H27N9O/c1-19-3-2-4-23(33-19)28-27(22-7-8-26-31-18-32-37(26)17-22)34-25(35-28)15-30-24-13-20(14-29)5-6-21(24)16-36-9-11-38-12-10-36/h2-8,13,17-18,30H,9-12,15-16H2,1H3,(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015956 (CHEMBL3260901) Show SMILES CN(C)Cc1cc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3ncnn3c2)cc(c1)C#N Show InChI InChI=1S/C26H25N9/c1-17-5-4-6-22(31-17)26-25(20-7-8-24-29-16-30-35(24)15-20)32-23(33-26)13-28-21-10-18(12-27)9-19(11-21)14-34(2)3/h4-11,15-16,28H,13-14H2,1-3H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015670 (CHEMBL3260583 | USRE47141, Example 20) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(Br)c2)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H18BrN7/c1-14-4-2-7-18(27-14)22-21(15-8-9-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-6-3-5-16(23)10-17/h2-10,12-13,24H,11H2,1H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015679 (CHEMBL3260591 | USRE47141, Example 60) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(c2)C#N)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C23H18N8/c1-15-4-2-7-19(28-15)23-22(17-8-9-21-26-14-27-31(21)13-17)29-20(30-23)12-25-18-6-3-5-16(10-18)11-24/h2-10,13-14,25H,12H2,1H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50261205 (CHEMBL4091107) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)cc3)ncnc12 |r,wU:12.15,10.10,(29.02,-22.38,;27.93,-23.46,;26.44,-23.06,;25.35,-24.16,;25.75,-25.64,;27.24,-26.04,;28.33,-24.95,;27.64,-27.52,;29.15,-27.85,;26.61,-28.67,;25.1,-28.35,;23.81,-29.19,;22.97,-27.9,;24.26,-27.06,;21.47,-27.58,;20.84,-26.17,;19.31,-26.33,;18.99,-27.84,;17.65,-28.61,;16.32,-27.84,;14.99,-28.61,;13.66,-27.84,;12.32,-28.61,;10.99,-27.84,;10.99,-26.3,;9.65,-25.53,;12.32,-25.53,;13.66,-26.3,;17.65,-30.15,;18.99,-30.92,;20.32,-30.15,;20.32,-28.61,)| Show InChI InChI=1S/C23H22FN7O/c1-14-3-2-4-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-7-16(24)8-6-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK2/CyclinA (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015953 (CHEMBL3260898) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cccc(C#N)c2CN2CCCC2)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C28H27N9/c1-19-6-4-9-24(33-19)28-27(21-10-11-26-31-18-32-37(26)16-21)34-25(35-28)15-30-23-8-5-7-20(14-29)22(23)17-36-12-2-3-13-36/h4-11,16,18,30H,2-3,12-13,15,17H2,1H3,(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as...				Eur J Med Chem 130: 365-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.059 BindingDB Entry DOI: 10.7270/Q2K076J6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50261165 (CHEMBL4070146) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r,wU:12.15,10.10,(31.27,-11.82,;30.17,-12.91,;28.69,-12.51,;27.6,-13.6,;28,-15.09,;29.49,-15.48,;30.57,-14.39,;29.89,-16.97,;31.39,-17.29,;28.85,-18.12,;27.35,-17.8,;26.06,-18.63,;25.22,-17.34,;26.51,-16.51,;23.71,-17.02,;23.08,-15.61,;21.55,-15.77,;21.23,-17.28,;19.9,-18.05,;18.57,-17.28,;17.23,-18.05,;15.9,-17.28,;15.9,-15.74,;14.57,-14.97,;13.24,-15.74,;13.24,-17.28,;11.9,-18.05,;14.57,-18.05,;19.9,-19.59,;21.23,-20.36,;22.56,-19.59,;22.56,-18.05,)| Show InChI InChI=1S/C23H22FN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50015942 (CHEMBL3260623 | USRE47141, Example 9) Show SMILES Cc1cccc(n1)-c1[nH]c(CNc2cc(F)cc(F)c2)nc1-c1ccc2ncnn2c1 Show InChI InChI=1S/C22H17F2N7/c1-13-3-2-4-18(28-13)22-21(14-5-6-20-26-12-27-31(20)11-14)29-19(30-22)10-25-17-8-15(23)7-16(24)9-17/h2-9,11-12,25H,10H2,1H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay				J Med Chem 57: 4213-38 (2014) Article DOI: 10.1021/jm500115w BindingDB Entry DOI: 10.7270/Q2DV1MFM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1883 total )  |  Next  |  Last  >>

Jump to: