Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50049143   

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
Perforin-1 (Homo sapiens (Human))	BDBM50235190 (CHEMBL4090472) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H17F2N3O3S2/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26/h2-12,28H,13H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235188 (CHEMBL4082644) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2CNC(=O)c2c1 Show InChI InChI=1S/C23H15F2N3O3S2/c24-16-3-6-22(19(25)9-16)33(30,31)28-17-7-15(10-26-12-17)21-5-4-20(32-21)13-1-2-14-11-27-23(29)18(14)8-13/h1-10,12,28H,11H2,(H,27,29)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235183 (CHEMBL4094443) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C23H15F2N3O3S2/c24-16-2-6-22(18(25)10-16)33(30,31)28-17-8-15(11-26-12-17)21-5-4-20(32-21)13-1-3-19-14(7-13)9-23(29)27-19/h1-8,10-12,28H,9H2,(H,27,29)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235182 (CHEMBL4102187) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H15F2N3O2S2/c24-17-2-6-23(19(25)11-17)32(29,30)28-18-10-16(12-26-13-18)22-5-4-21(31-22)15-1-3-20-14(9-15)7-8-27-20/h1-13,27-28H	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235189 (CHEMBL4060763) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)NCc2c1 Show InChI InChI=1S/C23H15F2N3O3S2/c24-16-2-6-22(19(25)9-16)33(30,31)28-17-8-15(10-26-12-17)21-5-4-20(32-21)13-1-3-18-14(7-13)11-27-23(18)29/h1-10,12,28H,11H2,(H,27,29)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235181 (CHEMBL4084215) Show SMILES Cn1ccc2cc(ccc12)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H17F2N3O2S2/c1-29-9-8-15-10-16(2-4-21(15)29)22-5-6-23(32-22)17-11-19(14-27-13-17)28-33(30,31)24-7-3-18(25)12-20(24)26/h2-14,28H,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235177 (CHEMBL4065272) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(nc1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C25H18F2N4O3S/c1-31-14-18-8-15(2-5-21(18)25(31)32)16-3-6-23(29-12-16)17-9-20(13-28-11-17)30-35(33,34)24-7-4-19(26)10-22(24)27/h2-13,30H,14H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235192 (CHEMBL4073876) Show SMILES CN1C(=O)Cc2cc(ccc12)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H17F2N3O3S2/c1-29-20-4-2-14(8-15(20)10-24(29)30)21-5-6-22(33-21)16-9-18(13-27-12-16)28-34(31,32)23-7-3-17(25)11-19(23)26/h2-9,11-13,28H,10H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235194 (CHEMBL4062545) Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H17F2N3O3S2/c1-29-13-15-3-2-14(9-19(15)24(29)30)21-5-6-22(33-21)16-8-18(12-27-11-16)28-34(31,32)23-7-4-17(25)10-20(23)26/h2-12,28H,13H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235180 (CHEMBL4064229) Show SMILES CC(=O)c1cn(C)c2ccc(cc12)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C26H19F2N3O3S2/c1-15(32)21-14-31(2)23-5-3-16(10-20(21)23)24-6-7-25(35-24)17-9-19(13-29-12-17)30-36(33,34)26-8-4-18(27)11-22(26)28/h3-14,30H,1-2H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235193 (CHEMBL4086702) Show SMILES CN1CCc2ccc(cc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C25H19F2N3O3S2/c1-30-9-8-15-2-3-16(11-20(15)25(30)31)22-5-6-23(34-22)17-10-19(14-28-13-17)29-35(32,33)24-7-4-18(26)12-21(24)27/h2-7,10-14,29H,8-9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235191 (CHEMBL4091967) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(o1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C24H17F2N3O4S/c1-29-13-16-8-14(2-4-19(16)24(29)30)21-5-6-22(33-21)15-9-18(12-27-11-15)28-34(31,32)23-7-3-17(25)10-20(23)26/h2-12,28H,13H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235179 (CHEMBL4072823) Show SMILES CN1Cc2cc(ccc2C1=O)-c1ncc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C23H16F2N4O3S2/c1-29-12-15-6-13(2-4-18(15)23(29)30)22-27-11-20(33-22)14-7-17(10-26-9-14)28-34(31,32)21-5-3-16(24)8-19(21)25/h2-11,28H,12H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235187 (CHEMBL4072152) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2C(=O)NCCc2c1 Show InChI InChI=1S/C24H17F2N3O3S2/c25-17-2-6-23(20(26)11-17)34(31,32)29-18-10-16(12-27-13-18)22-5-4-21(33-22)15-1-3-19-14(9-15)7-8-28-24(19)30/h1-6,9-13,29H,7-8H2,(H,28,30)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235186 (CHEMBL4091387) Show SMILES CN1CCc2cc(ccc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C25H19F2N3O3S2/c1-30-9-8-15-10-16(2-4-20(15)25(30)31)22-5-6-23(34-22)17-11-19(14-28-13-17)29-35(32,33)24-7-3-18(26)12-21(24)27/h2-7,10-14,29H,8-9H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235185 (CHEMBL4063541) Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1ccc2CCNC(=O)c2c1 Show InChI InChI=1S/C24H17F2N3O3S2/c25-17-3-6-23(20(26)11-17)34(31,32)29-18-9-16(12-27-13-18)22-5-4-21(33-22)15-2-1-14-7-8-28-24(30)19(14)10-15/h1-6,9-13,29H,7-8H2,(H,28,30)	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235184 (CHEMBL4065260) Show SMILES CC1N(C)C(=O)c2ccc(cc12)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C25H19F2N3O3S2/c1-14-20-10-15(3-5-19(20)25(31)30(14)2)22-6-7-23(34-22)16-9-18(13-28-12-16)29-35(32,33)24-8-4-17(26)11-21(24)27/h3-14,29H,1-2H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair
Perforin-1 (Homo sapiens (Human))	BDBM50235178 (CHEMBL4099714) Show SMILES CN1Cc2cc(ccc2C1=O)-c1nc(cs1)-c1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C23H16F2N4O3S2/c1-29-11-15-6-13(2-4-18(15)23(29)30)22-27-20(12-33-22)14-7-17(10-26-9-14)28-34(31,32)21-5-3-16(24)8-19(21)25/h2-10,12,28H,11H2,1H3	NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release prein...				Bioorg Med Chem Lett 27: 1050-1054 (2017) Article DOI: 10.1016/j.bmcl.2016.12.057 BindingDB Entry DOI: 10.7270/Q2XS5XNH
					More data for this Ligand-Target Pair