Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'ahmed' and Initial = 'r'   

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
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50504214 (CHEMBL4530425) Show SMILES COc1ccc(cc1Cl)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H21Cl2FN4O5/c1-34-19-8-6-15(12-17(19)27)32-24(13-9-20(35-2)22(37-4)21(10-13)36-3)30-23(31-32)25(33)29-14-5-7-18(28)16(26)11-14/h5-12H,1-4H3,(H,29,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50504215 (CHEMBL4463939) Show SMILES COc1ccccc1NC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H22ClFN4O5/c1-33-19-8-6-5-7-18(19)28-25(32)23-29-24(31(30-23)15-9-10-17(27)16(26)13-15)14-11-20(34-2)22(36-4)21(12-14)35-3/h5-13H,1-4H3,(H,28,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533526 (jm2c00120, Compound 25) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533538 (jm2c00120, Compound 35) Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533519 (jm2c00120, Compound 18) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533520 (jm2c00120, Compound 19) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
mRNA cap guanine-N7 methyltransferase (Homo sapiens)	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal His6-tagged human RNA-N7 MTase expressed in Escherichia coli using GpppAC4 and [3H]SAM as substrate preincubated with enzyme...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112557 BindingDB Entry DOI: 10.7270/Q26Q21ZF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM533535 (jm2c00120, Compound 32) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(C)c(Cl)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152597 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-9-12-5-2-3-8-15(12)24-16)19-20-17(25)18-13-6-4-7-14(10-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533537 (jm2c00120, Compound 34) Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(CCCCOC(C)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533518 (jm2c00120, Compound 17) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Br)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152587 (2-(1-(Benzofuran-2-yl)ethylidene)-N-phenylhydrazin...) Show SMILES CC(=NNC(=S)Nc1ccccc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H15N3OS/c1-12(16-11-13-7-5-6-10-15(13)21-16)19-20-17(22)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,18,20,22)/b19-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533534 (jm2c00120, Compound 31) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152600 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-methoxyphen...) Show SMILES COc1cccc(NC(=S)NN=C(C)c2cc3ccccc3o2)c1 |w:11.10| Show InChI InChI=1S/C18H17N3O2S/c1-12(17-10-13-6-3-4-9-16(13)23-17)20-21-18(24)19-14-7-5-8-15(11-14)22-2/h3-11H,1-2H3,(H2,19,21,24)/b20-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533536 (jm2c00120, Compound 33) Show SMILES CCOC(=O)CCCCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533515 (jm2c00120, Compound 15) Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152591 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-4-2-3-5-15(12)22-16)20-21-17(23)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152598 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(4-nitrophenyl...) Show SMILES CC(=NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14N4O3S/c1-11(16-10-12-4-2-3-5-15(12)24-16)19-20-17(25)18-13-6-8-14(9-7-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533514 (jm2c00120, Compound 14) Show SMILES CCc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM57806 (1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-meth...) Show SMILES CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-6-5-8-15(10-12)19-18(23)21-20-13(2)17-11-14-7-3-4-9-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152602 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methylpheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C18H17N3OS/c1-12-7-3-5-9-15(12)19-18(23)21-20-13(2)17-11-14-8-4-6-10-16(14)22-17/h3-11H,1-2H3,(H2,19,21,23)/b20-13+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152593 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1ccccc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533513 (jm2c00120, Compound 13) Show SMILES Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533529 (jm2c00120, Compound 29) Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50378739 (SINEFUNGIN | jm2c00120, Sinefungin) Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152594 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-difluorop...) Show SMILES CC(=NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13F2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533531 (jm2c00120, Compound 30) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533528 (jm2c00120, Compound 28) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533524 (jm2c00120, Compound 23) Show SMILES COc1ccc(cc1C#N)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533516 (jm2c00120, Compound 16) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	516	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GT...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152596 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-bromophenyl...) Show SMILES CC(=NNC(=S)Nc1ccccc1Br)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14BrN3OS/c1-11(16-10-12-6-2-5-9-15(12)22-16)20-21-17(23)19-14-8-4-3-7-13(14)18/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	564	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152589 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,4-dichlorop...) Show SMILES CC(=NNC(=S)Nc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-7-6-12(18)9-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	592	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152603 (N-Allyl-2-(1-(benzofuran-2-yl)ethylidene)hydrazine...) Show SMILES CC(=NNC(=S)NCC=C)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C14H15N3OS/c1-3-8-15-14(19)17-16-10(2)13-9-11-6-4-5-7-12(11)18-13/h3-7,9H,1,8H2,2H3,(H2,15,17,19)/b16-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	694	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50504214 (CHEMBL4530425) Show SMILES COc1ccc(cc1Cl)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H21Cl2FN4O5/c1-34-19-8-6-15(12-17(19)27)32-24(13-9-20(35-2)22(37-4)21(10-13)36-3)30-23(31-32)25(33)29-14-5-7-18(28)16(26)11-14/h5-12H,1-4H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GT...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50504216 (CHEMBL4472670) Show SMILES COc1ccc(cc1Cl)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(F)c(F)c1F Show InChI InChI=1S/C25H20ClF3N4O5/c1-35-17-8-5-13(11-14(17)26)33-24(12-9-18(36-2)22(38-4)19(10-12)37-3)31-23(32-33)25(34)30-16-7-6-15(27)20(28)21(16)29/h5-11H,1-4H3,(H,30,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GT...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533522 (jm2c00120, Compound 21) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(F)c(c2)C#N)[C@@H](O)[C@H]1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	899	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533525 (jm2c00120, Compound 24) Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(c1)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533523 (jm2c00120, Compound 22) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)C#N)[C@@H](O)[C@H]1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50504215 (CHEMBL4463939) Show SMILES COc1ccccc1NC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H22ClFN4O5/c1-33-19-8-6-5-7-18(19)28-25(32)23-29-24(31(30-23)15-9-10-17(27)16(26)13-15)14-11-20(34-2)22(36-4)21(12-14)35-3/h5-13H,1-4H3,(H,28,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GT...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152588 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-chloropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(Cl)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14ClN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152592 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-fluoropheny...) Show SMILES CC(=NNC(=S)Nc1cccc(F)c1)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H14FN3OS/c1-11(16-9-12-5-2-3-8-15(12)22-16)20-21-17(23)19-14-7-4-6-13(18)10-14/h2-10H,1H3,(H2,19,21,23)/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM533508 (jm2c00120, Compound 7) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533504 (jm2c00120, Compound 5) Show SMILES COc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM152590 (2-(1-(Benzofuran-2-yl)ethylidene)-N-(2,5-dichlorop...) Show SMILES CC(=NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc2ccccc2o1 |w:2.2| Show InChI InChI=1S/C17H13Cl2N3OS/c1-10(16-8-11-4-2-3-5-15(11)23-16)21-22-17(24)20-14-9-12(18)6-7-13(14)19/h2-9H,1H3,(H2,20,22,24)/b21-10+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	8.2	n/a
University of Karachi					Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b...				Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM533508 (jm2c00120, Compound 7) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50504214 (CHEMBL4530425) Show SMILES COc1ccc(cc1Cl)-n1nc(nc1-c1cc(OC)c(OC)c(OC)c1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C25H21Cl2FN4O5/c1-34-19-8-6-15(12-17(19)27)32-24(13-9-20(35-2)22(37-4)21(10-13)36-3)30-23(31-32)25(33)29-14-5-7-18(28)16(26)11-14/h5-12H,1-4H3,(H,29,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Minia University Curated by ChEMBL					Assay Description Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111697 BindingDB Entry DOI: 10.7270/Q2PG1W17
					More data for this Ligand-Target Pair

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