Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50001309   

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))	BDBM50275870 (CHEMBL4129331) Show SMILES Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H14ClN5O3S2/c19-13-4-2-12(3-5-13)16(25)23-18(28)22-14-6-8-15(9-7-14)29(26,27)24-17-20-10-1-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Mixed-type inhibition of calf intestinal alkaline phosphatase assessed as enzyme-inhibitor dissociation constant using varying levels of p-NPP as sub...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275870 (CHEMBL4129331) Show SMILES Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H14ClN5O3S2/c19-13-4-2-12(3-5-13)16(25)23-18(28)22-14-6-8-15(9-7-14)29(26,27)24-17-20-10-1-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	415	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Mixed-type inhibition of calf intestinal alkaline phosphatase assessed as enzyme-substrate-inhibitor dissociation constant using varying levels of p-...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275870 (CHEMBL4129331) Show SMILES Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H14ClN5O3S2/c19-13-4-2-12(3-5-13)16(25)23-18(28)22-14-6-8-15(9-7-14)29(26,27)24-17-20-10-1-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275871 (CHEMBL4128234) Show SMILES Clc1ccc(C(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c(Cl)c1 Show InChI InChI=1S/C18H13Cl2N5O3S2/c19-11-2-7-14(15(20)10-11)16(26)24-18(29)23-12-3-5-13(6-4-12)30(27,28)25-17-21-8-1-9-22-17/h1-10H,(H,21,22,25)(H2,23,24,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275925 (CHEMBL4130271) Show SMILES CCCCCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H23N5O3S2/c1-2-3-4-5-7-16(24)22-18(27)21-14-8-10-15(11-9-14)28(25,26)23-17-19-12-6-13-20-17/h6,8-13H,2-5,7H2,1H3,(H,19,20,23)(H2,21,22,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	492	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275869 (CHEMBL4126012) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H13N7O7S2/c26-16(11-8-13(24(27)28)10-14(9-11)25(29)30)22-18(33)21-12-2-4-15(5-3-12)34(31,32)23-17-19-6-1-7-20-17/h1-10H,(H,19,20,23)(H2,21,22,26,33)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	896	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275874 (CHEMBL4125873) Show SMILES Fc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H14FN5O3S2/c19-13-4-2-12(3-5-13)16(25)23-18(28)22-14-6-8-15(9-7-14)29(26,27)24-17-20-10-1-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275882 (CHEMBL4126859) Show SMILES CCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C15H17N5O3S2/c1-2-4-13(21)19-15(24)18-11-5-7-12(8-6-11)25(22,23)20-14-16-9-3-10-17-14/h3,5-10H,2,4H2,1H3,(H,16,17,20)(H2,18,19,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275883 (CHEMBL4126997) Show SMILES CCCCCCCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C19H25N5O3S2/c1-2-3-4-5-6-8-17(25)23-19(28)22-15-9-11-16(12-10-15)29(26,27)24-18-20-13-7-14-21-18/h7,9-14H,2-6,8H2,1H3,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275873 (CHEMBL4129688) Show SMILES COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C19H17N5O4S2/c1-28-15-7-3-13(4-8-15)17(25)23-19(29)22-14-5-9-16(10-6-14)30(26,27)24-18-20-11-2-12-21-18/h2-12H,1H3,(H,20,21,24)(H2,22,23,25,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275881 (CHEMBL4128081) Show SMILES Clc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C18H14ClN5O3S2/c19-15-5-2-1-4-14(15)16(25)23-18(28)22-12-6-8-13(9-7-12)29(26,27)24-17-20-10-3-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50275872 (CHEMBL1726768) Show SMILES CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C13H13N5O3S2/c1-9(19)16-13(22)17-10-3-5-11(6-4-10)23(20,21)18-12-14-7-2-8-15-12/h2-8H,1H3,(H,14,15,18)(H2,16,17,19,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50004328 (CHEBI:63036 | POTASSIUM PHOSPHATE, MONOBASIC) Show SMILES [K+].OP(O)([O-])=O Show InChI InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 m...				Bioorg Med Chem 26: 3707-3715 (2018) Article DOI: 10.1016/j.bmc.2018.06.002 BindingDB Entry DOI: 10.7270/Q2C53PBN
					More data for this Ligand-Target Pair