Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048129   

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))	BDBM50205625 (CHEMBL3901491) Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C42H58N4O8/c1-41(2,39(51)43-29-11-7-5-8-12-29)45(35(49)23-27-15-19-31(47)20-16-27)33-25-53-38-34(26-54-37(33)38)46(36(50)24-28-17-21-32(48)22-18-28)42(3,4)40(52)44-30-13-9-6-10-14-30/h15-22,29-30,33-34,37-38,47-48H,5-14,23-26H2,1-4H3,(H,43,51)(H,44,52)/t33-,34-,37+,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50205623 (CHEMBL3951954) Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(F)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C31H39FN2O5/c1-31(2,30(36)33-24-11-7-4-8-12-24)34(27(35)17-21-13-15-23(32)16-14-21)25-19-38-29-26(20-39-28(25)29)37-18-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,24-26,28-29H,4,7-8,11-12,17-20H2,1-2H3,(H,33,36)/t25-,26+,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50205620 (CHEMBL3943212) Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C31H40N2O6/c1-31(2,30(36)32-23-11-7-4-8-12-23)33(27(35)17-21-13-15-24(34)16-14-21)25-19-38-29-26(20-39-28(25)29)37-18-22-9-5-3-6-10-22/h3,5-6,9-10,13-16,23,25-26,28-29,34H,4,7-8,11-12,17-20H2,1-2H3,(H,32,36)/t25-,26+,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50205624 (CHEMBL3963267) Show SMILES [H][C@]12OC[C@H](N(C(=O)Cc3ccc(OC)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C32H42N2O6/c1-32(2,31(36)33-24-12-8-5-9-13-24)34(28(35)18-22-14-16-25(37-3)17-15-22)26-20-39-30-27(21-40-29(26)30)38-19-23-10-6-4-7-11-23/h4,6-7,10-11,14-17,24,26-27,29-30H,5,8-9,12-13,18-21H2,1-3H3,(H,33,36)/t26-,27+,29+,30+/m0/s1	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	2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair
Kallikrein-7 (Homo sapiens (Human))	BDBM50205621 (CHEMBL3891631) Show SMILES [H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r| Show InChI InChI=1S/C30H38N2O5/c1-30(2,29(34)31-23-16-10-5-11-17-23)32(28(33)22-14-8-4-9-15-22)24-19-36-27-25(20-37-26(24)27)35-18-21-12-6-3-7-13-21/h3-4,6-9,12-15,23-27H,5,10-11,16-20H2,1-2H3,(H,31,34)/t24-,25+,26+,27+/m0/s1	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	5.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal Fluminense Curated by ChEMBL					Assay Description Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated...				Bioorg Med Chem Lett 27: 314-318 (2017) Article DOI: 10.1016/j.bmcl.2016.11.051 BindingDB Entry DOI: 10.7270/Q2WW7KNV
					More data for this Ligand-Target Pair