Compile Data Set for Download or QSAR

Found 19 hits of affinity data for UniProtKB/TrEMBL: O60259   

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-8 (Homo sapiens (Human))	BDBM50525914 (CHEMBL4558285) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525895 (CHEMBL4447752) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525899 (CHEMBL4465265) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525905 (CHEMBL4517343) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-17-6-3-4-14(10-17)13-28-21-12-16(8-9-18(21)22(25)26)20-11-15-5-1-2-7-19(15)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H	PDB KEGG UniProtKB/SwissProt antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525903 (CHEMBL4436048) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-14(10-19(17)27-13-15-4-3-9-25-12-15)11-20-16-5-1-2-6-18(16)22(26)28-20;/h1-10,12,20,26H,11,13H2,(H3,23,24);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50459539 (CHEMBL4206734) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2cc(ccc12)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C25H26N6O3/c1-14-20(19-10-9-17(25(26)27)11-21(19)28-14)12-23(33)34-13-22(32)29-24-15(2)30-31(16(24)3)18-7-5-4-6-8-18/h4-11,28H,12-13H2,1-3H3,(H3,26,27)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK8 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525911 (CHEMBL4535907) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-19-8-4-2-6-16(19)13-28-21-12-15(9-10-17(21)22(25)26)20-11-14-5-1-3-7-18(14)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525904 (CHEMBL4461533) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1 Show InChI InChI=1S/C21H18BClFN3O3.ClH/c23-17-6-14-8-19(30-22(28)16(14)9-18(17)24)13-3-4-15(21(25)26)20(7-13)29-11-12-2-1-5-27-10-12;/h1-7,9-10,19,28H,8,11H2,(H3,25,26);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525912 (CHEMBL4543039) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50522493 (CHEMBL4530083) Show SMILES NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1cccnc1 Show InChI InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal 10-His tagged human KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: 1454-1458 (2019) Article DOI: 10.1016/j.bmcl.2019.04.022 BindingDB Entry DOI: 10.7270/Q24F1V4V
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525900 (CHEMBL4460168) Show SMILES Cl.Cc1cccc2CC(OB(O)c12)c1ccc(C(N)=N)c(OCc2cccnc2)c1 Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-2-6-17-11-19(29-23(27)21(14)17)16-7-8-18(22(24)25)20(10-16)28-13-15-5-3-9-26-12-15;/h2-10,12,19,27H,11,13H2,1H3,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525918 (CHEMBL4473069) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1 Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)15-4-6-16-18(10-15)23(30)32-20(16)9-13-3-5-17(21(27)28)19(8-13)31-12-14-2-1-7-29-11-14;/h1-8,10-11,20,30H,9,12H2,(H3,27,28);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525913 (CHEMBL4464120) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-16-5-3-14-8-19(29-22(27)18(14)10-16)15-4-6-17(21(24)25)20(9-15)28-12-13-2-1-7-26-11-13;/h1-7,9-11,19,27H,8,12H2,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50459538 (CHEMBL4218203) Show SMILES Cc1nn(c(C)c1NC(=O)COC(=O)Cc1c(C)[nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center (DKFZ) Curated by ChEMBL					Assay Description Inhibition of KLK8 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured a...				J Med Chem 61: 8859-8874 (2018) Article DOI: 10.1021/acs.jmedchem.8b01106 BindingDB Entry DOI: 10.7270/Q279479B
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50302107 (CHEMBL567893 | Grassystatin A) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of kallikrein 8 after 10 to 15 mins by fluorescence assay				J Med Chem 52: 5732-47 (2009) Article DOI: 10.1021/jm9009394 BindingDB Entry DOI: 10.7270/Q2BG2PXP
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525897 (CHEMBL4536142) Show SMILES Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1 Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-7-19-18(9-14)21(29-23(19)27)11-15-5-6-17(22(24)25)20(10-15)28-13-16-3-2-8-26-12-16;/h2-10,12,21,27H,11,13H2,1H3,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525901 (CHEMBL4448315) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccc(F)cc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-18-17(10-15)20(29-22(18)27)9-13-3-5-16(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525902 (CHEMBL4547455) Show SMILES Cl.COc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1 Show InChI InChI=1S/C22H22BN3O4.ClH/c1-28-16-5-7-19-18(11-16)21(30-23(19)27)10-14-4-6-17(22(24)25)20(9-14)29-13-15-3-2-8-26-12-15;/h2-9,11-12,21,27H,10,13H2,1H3,(H3,24,25);1H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair