Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'kumar' and Initial = 'hm'   

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
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50520994 (CHEMBL4529797) Show SMILES OC[C@H]1NC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H15NO5/c9-2-3-5(11)7(13)6(12)4(10)1-8-3/h3-13H,1-2H2/t3-,4+,5-,6+,7+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of green coffee bean alpha-galactosidase				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50520989 (CHEMBL4565280) Show SMILES CCC1CCCN(C)C(=O)[C+]1c1cccc(Oc2cc(ccc2C#N)C(C)(N)c2cncn2C)c1 Show InChI InChI=1S/C28H32N5O2/c1-5-19-9-7-13-32(3)27(34)26(19)20-8-6-10-23(14-20)35-24-15-22(12-11-21(24)16-29)28(2,30)25-17-31-18-33(25)4/h6,8,10-12,14-15,17-19H,5,7,9,13,30H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant FTase using [3H]FPP as substrate after 15 mins by scintillation counting analysis				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of PKBalpha (unknown origin) expressed in Sf9 insect cells using Biotin-SGRARTSSFAEPG as substrate after 30 mins by ELISA				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 by EIA				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50520992 (CHEMBL4438366) Show SMILES CCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](O)CN1 |r| Show InChI InChI=1S/C10H21NO3/c1-2-3-4-7-5-8(12)10(14)9(13)6-11-7/h7-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of beta-galactosidase (unknown origin)				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50502118 (CHEMBL4476702) Show SMILES Clc1ccc(cc1)-c1nnc(\N=C\c2ccc(Cl)cc2Cl)s1 Show InChI InChI=1S/C15H8Cl3N3S/c16-11-4-1-9(2-5-11)14-20-21-15(22-14)19-8-10-3-6-12(17)7-13(10)18/h1-8H/b19-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-a-d-glucopyranoside as substrate preincubated for 5 mins followed by substrate a...				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175278 ((E)-2,3-bis(4-Hydroxyphenyl)acrylonitrile (21)) Show SMILES Oc1ccc(\C=C(\C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.06E+3	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by EIA				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50512315 (CHEMBL4438040) Show SMILES Cl.[#8]-c1c(Cl)cc(-n2[se;v2]c3cccc(F)c3c2=O)c2cccnc12 Show InChI InChI=1S/C16H8ClFN2O2Se/c17-9-7-11(8-3-2-6-19-14(8)15(9)21)20-16(22)13-10(18)4-1-5-12(13)23-20/h1-7,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175269 (Trans-4-Styryl-phenol (8)) Show SMILES Oc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C14H12O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11,15H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50520993 (CHEMBL4472415) Show SMILES Cl.O[C@@H]1CN[C@H](CC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C8H15NO6.ClH/c10-4-2-9-3(1-5(11)12)6(13)8(15)7(4)14;/h3-4,6-10,13-15H,1-2H2,(H,11,12);1H/t3-,4-,6+,7+,8-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM178133 (3-(6-Chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-...) Show SMILES Oc1cccc(-c2nc3ncc(Cl)cc3[nH]2)c1O Show InChI InChI=1S/C12H8ClN3O2/c13-6-4-8-12(14-5-6)16-11(15-8)7-2-1-3-9(17)10(7)18/h1-5,17-18H,(H,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175267 (Trans-4-Styrylbenzonitrile (6)) Show SMILES N#Cc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175271 (Trans-1-fluoro-4-(4-methoxystyryl)benzene (10)) Show SMILES COc1ccc(\C=C/c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H13FO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,1H3/b3-2-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175272 (Trans-2-Bromo-1-methoxy-4-styryl-benzene (11)) Show SMILES COc1ccc(\C=C/c2ccccc2)cc1Br Show InChI InChI=1S/C15H13BrO/c1-17-15-10-9-13(11-14(15)16)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175263 (Trans-1-Fluoro-4-styryl-benzene (2)) Show SMILES Fc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C14H11F/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175275 (Trans-9-Styryl-anthracene (15)) Show SMILES C(=C\c1c2ccccc2cc2ccccc12)\c1ccccc1 Show InChI InChI=1S/C22H16/c1-2-8-17(9-3-1)14-15-22-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)22/h1-16H/b15-14-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50520991 (CHEMBL4581374) Show SMILES Cl.O[C@@H]1CN[C@H](CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H15NO6.ClH/c10-4-2-9-3(1-5(11)12)6(13)8(15)7(4)14;/h3-4,6-10,13-15H,1-2H2,(H,11,12);1H/t3-,4-,6+,7-,8-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175279 ((E)-2-(4-Hydroxyphenyl)-3-(pyridin-3-yl)acrylonitr...) Show SMILES Oc1ccc(cc1)C(=C/c1cccnc1)\C#N Show InChI InChI=1S/C14H10N2O/c15-9-13(8-11-2-1-7-16-10-11)12-3-5-14(17)6-4-12/h1-8,10,17H/b13-8-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175277 ((E)-3-(4-Methoxyphenyl)-2-phenylpropenal (20)) Show SMILES COc1ccc(\C=C(\C=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H14O2/c1-18-16-9-7-13(8-10-16)11-15(12-17)14-5-3-2-4-6-14/h2-12H,1H3/b15-11-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175265 (Trans-1-Bromo-4-styrylbenzene (4)) Show SMILES Brc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50520990 (CHEMBL4522734) Show SMILES Cl.O[C@H]1CN[C@@H](CC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C8H15NO6.ClH/c10-4-2-9-3(1-5(11)12)6(13)8(15)7(4)14;/h3-4,6-10,13-15H,1-2H2,(H,11,12);1H/t3-,4-,6-,7-,8+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175264 (Trans-1-Chloro-4-styrylbenzene (3)) Show SMILES Clc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C14H11Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175266 (Trans-1-Nitro-4-styrylbenzene (5)) Show SMILES [O-][N+](=O)c1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.61E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175273 (Trans-1,3-Difluoro-5-styrylbenzene (12)) Show SMILES Fc1cc(F)cc(\C=C/c2ccccc2)c1 Show InChI InChI=1S/C14H10F2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.94E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175270 (Trans-1-Methoxy-4-styryl-benzene (9)) Show SMILES COc1ccc(\C=C/c2ccccc2)cc1 Show InChI InChI=1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50006677 (1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175274 (Trans-1,2,3,4,5-Pentafluoro-6-styryl-benzene (14)) Show SMILES Fc1c(F)c(F)c(\C=C/c2ccccc2)c(F)c1F Show InChI InChI=1S/C14H7F5/c15-10-9(7-6-8-4-2-1-3-5-8)11(16)13(18)14(19)12(10)17/h1-7H/b7-6-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175262 (Trans-1,2-Diphenylethene (1)) Show SMILES C(=C/c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175276 ((E)-Methyl-3-(4-hydroxy-3-methoxyphenyl)-2-(4-meth...) Show SMILES COC(=O)C(=C\c1ccc(O)c(OC)c1)\c1ccc(OC)cc1 Show InChI InChI=1S/C18H18O5/c1-21-14-7-5-13(6-8-14)15(18(20)23-3)10-12-4-9-16(19)17(11-12)22-2/h4-11,19H,1-3H3/b15-10+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM175268 (Trans-Acetic acid 4-styryl-phenyl ester (7)) Show SMILES CC(=O)Oc1ccc(C=Cc2ccccc2)cc1 |w:9.9| Show InChI InChI=1S/C16H14O2/c1-13(17)18-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/b8-7+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	6.8	n/a
Indian Institute of Integrative Medicine					Assay Description The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or pres...				Bioorg Chem 64: 97-102 (2016) Article DOI: 10.1016/j.bioorg.2016.01.001 BindingDB Entry DOI: 10.7270/Q28C9V13
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346541 (CHEMBL1797749) Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+7	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) using fluorogenic deacetylase substrate by fluorescence assay				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50008859 (CHEMBL3222141) Show SMILES Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21BrN2O3S/c20-16-8-6-9-17(14-16)21-19(23)15-7-5-10-18(13-15)26(24,25)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2,(H,21,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+7	n/a	n/a	n/a	n/a	n/a	n/a
wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibition of SIRT2 (unknown origin) using fluorogenic deacetylase substrate by fluorescence assay				Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 BindingDB Entry DOI: 10.7270/Q2154MGW
					More data for this Ligand-Target Pair