Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 7855   

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
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222258 ((Z)-4-(2-((E)-4-(2-chlorophenyl)-1-morpholino-2-ox...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H21ClN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222262 ((Z)-4-(2-((E)-4-(3,4-dimethoxyphenyl)-1-morpholino...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1OC Show InChI InChI=1S/C22H26N4O6S/c1-30-20-10-4-16(15-21(20)31-2)3-9-19(27)22(26-11-13-32-14-12-26)25-24-17-5-7-18(8-6-17)33(23,28)29/h3-10,15,24H,11-14H2,1-2H3,(H2,23,28,29)/b9-3+,25-22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222261 ((Z)-4-(2-((E)-4-(4-methoxyphenyl)-1-morpholino-2-o...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-29-18-7-2-16(3-8-18)4-11-20(26)21(25-12-14-30-15-13-25)24-23-17-5-9-19(10-6-17)31(22,27)28/h2-11,23H,12-15H2,1H3,(H2,22,27,28)/b11-4+,24-21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222262 ((Z)-4-(2-((E)-4-(3,4-dimethoxyphenyl)-1-morpholino...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1OC Show InChI InChI=1S/C22H26N4O6S/c1-30-20-10-4-16(15-21(20)31-2)3-9-19(27)22(26-11-13-32-14-12-26)25-24-17-5-7-18(8-6-17)33(23,28)29/h3-10,15,24H,11-14H2,1-2H3,(H2,23,28,29)/b9-3+,25-22-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222264 ((Z)-4-(2-((E)-4-(2-fluorophenyl)-1-morpholino-2-ox...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2F)cc1 Show InChI InChI=1S/C20H21FN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222259 ((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222263 ((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...) Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222265 ((Z)-4-(2-((E)-4-(3-fluorophenyl)-1-morpholino-2-ox...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2cccc(F)c2)cc1 Show InChI InChI=1S/C20H21FN4O4S/c21-16-3-1-2-15(14-16)4-9-19(26)20(25-10-12-29-13-11-25)24-23-17-5-7-18(8-6-17)30(22,27)28/h1-9,14,23H,10-13H2,(H2,22,27,28)/b9-4+,24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222267 ((Z)-4-(2-((E)-1-morpholino-4-(3-Nitrophenyl)-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C20H21N5O6S/c21-32(29,30)18-7-5-16(6-8-18)22-23-20(24-10-12-31-13-11-24)19(26)9-4-15-2-1-3-17(14-15)25(27)28/h1-9,14,22H,10-13H2,(H2,21,29,30)/b9-4+,23-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222260 ((Z)-4-(2-((E)-4-(3-methoxyphenyl)-1-morpholino-2-o...) Show SMILES COc1cccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)c1 Show InChI InChI=1S/C21H24N4O5S/c1-29-18-4-2-3-16(15-18)5-10-20(26)21(25-11-13-30-14-12-25)24-23-17-6-8-19(9-7-17)31(22,27)28/h2-10,15,23H,11-14H2,1H3,(H2,22,27,28)/b10-5+,24-21-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222261 ((Z)-4-(2-((E)-4-(4-methoxyphenyl)-1-morpholino-2-o...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-29-18-7-2-16(3-8-18)4-11-20(26)21(25-12-14-30-15-13-25)24-23-17-5-9-19(10-6-17)31(22,27)28/h2-11,23H,12-15H2,1H3,(H2,22,27,28)/b11-4+,24-21-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222263 ((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...) Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM222263 ((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...) Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222259 ((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222259 ((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222261 ((Z)-4-(2-((E)-4-(4-methoxyphenyl)-1-morpholino-2-o...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-29-18-7-2-16(3-8-18)4-11-20(26)21(25-12-14-30-15-13-25)24-23-17-5-9-19(10-6-17)31(22,27)28/h2-11,23H,12-15H2,1H3,(H2,22,27,28)/b11-4+,24-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222258 ((Z)-4-(2-((E)-4-(2-chlorophenyl)-1-morpholino-2-ox...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H21ClN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222262 ((Z)-4-(2-((E)-4-(3,4-dimethoxyphenyl)-1-morpholino...) Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1OC Show InChI InChI=1S/C22H26N4O6S/c1-30-20-10-4-16(15-21(20)31-2)3-9-19(27)22(26-11-13-32-14-12-26)25-24-17-5-7-18(8-6-17)33(23,28)29/h3-10,15,24H,11-14H2,1-2H3,(H2,23,28,29)/b9-3+,25-22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM222258 ((Z)-4-(2-((E)-4-(2-chlorophenyl)-1-morpholino-2-ox...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H21ClN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Bos taurus (Cattle))	BDBM50241179 ((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...) Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1 |r,c:5| Show InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM222266 ((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...) Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM26994 (CHEMBL68253 | H2NSO3H | sulfamic acid) Show SMILES NS(O)(=O)=O Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.21E+4	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM26994 (CHEMBL68253 | H2NSO3H | sulfamic acid) Show SMILES NS(O)(=O)=O Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.73E+4	n/a	n/a	n/a	n/a	7.4	37
COMSATS Institute of Information Technology					Assay Description The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM18073 ((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...) Show SMILES N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.02E+4	n/a	n/a	n/a	n/a	9.8	37
COMSATS Institute of Information Technology					Assay Description Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...				Bioorg Chem 70: 229-236 (2017) Article DOI: 10.1016/j.bioorg.2017.01.003 BindingDB Entry DOI: 10.7270/Q2K07334
					More data for this Ligand-Target Pair