Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50033993   

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
Kallikrein-7 (Homo sapiens (Human))	BDBM50355086 (CHEMBL1834753) Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)| Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355088 (CHEMBL1834754) Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)| Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355086 (CHEMBL1834753) Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)| Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50355088 (CHEMBL1834754) Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)| Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355087 (CHEMBL1833982) Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1 Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50355087 (CHEMBL1833982) Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1 Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355088 (CHEMBL1834754) Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)| Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355086 (CHEMBL1834753) Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)| Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50355086 (CHEMBL1834753) Show SMILES COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)| Show InChI InChI=1S/C32H26O12/c1-11-7-13-21(31(37)43-11)25(33)19-15(29(13)41-5)9-17(39-3)23(27(19)35)24-18(40-4)10-16-20(28(24)36)26(34)22-14(30(16)42-6)8-12(2)44-32(22)38/h7-10,33-36H,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50355088 (CHEMBL1834754) Show SMILES COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)| Show InChI InChI=1S/C30H26O10/c1-11-5-13-7-15-9-17(37-3)23(27(33)19(15)25(31)21(13)29(35)39-11)24-18(38-4)10-16-8-14-6-12(2)40-30(36)22(14)26(32)20(16)28(24)34/h7-12,31-34H,5-6H2,1-4H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50355087 (CHEMBL1833982) Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1 Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair
Kallikrein-5 [D153N] (Homo sapiens (Human))	BDBM50355087 (CHEMBL1833982) Show SMILES COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1 Show InChI InChI=1S/C16H14O6/c1-7-4-9-13(16(19)22-7)14(18)12-10(15(9)21-3)5-8(20-2)6-11(12)17/h4-6,17-18H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Tri£ngulo Mineiro Curated by ChEMBL					Assay Description Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay				Bioorg Med Chem Lett 21: 6112-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.044 BindingDB Entry DOI: 10.7270/Q24M94ZP
					More data for this Ligand-Target Pair