Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Caspase-14' AND taxid = 9606   

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
Caspase-14 (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	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of caspase 14 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
Caspase-14 (Homo sapiens (Human))	BDBM50288845 (CHEMBL4172307) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(CC(O)=O)C=O |r| Show InChI InChI=1S/C8H11N3O5/c12-5(6-9-3-10-11-6)2-1-4(7(13)14)8(15)16/h3-5,12H,1-2H2,(H,13,14)(H,15,16)(H,9,10,11)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human caspase 14 using Ac-WEHD-AMC fluorogenic peptide as substrate by fluorescence assay				J Med Chem 61: 6364-6378 (2018) Article DOI: 10.1021/acs.jmedchem.8b00885 BindingDB Entry DOI: 10.7270/Q2N87D9X
					More data for this Ligand-Target Pair
Caspase-14 (Homo sapiens (Human))	BDBM50303417 (4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...) Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human Caspase 14				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Caspase-14 (Homo sapiens (Human))	BDBM50288844 (CHEMBL4168948) Show SMILES CC[C@H](C)[C@@H](OC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r| Show InChI InChI=1S/C7H9N3O5/c11-4(5-8-2-9-10-5)1-3(6(12)13)7(14)15/h2-4,11H,1H2,(H,12,13)(H,14,15)(H,8,9,10)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human caspase 14 using Ac-WEHD-AMC fluorogenic peptide as substrate by fluorescence assay				J Med Chem 61: 6364-6378 (2018) Article DOI: 10.1021/acs.jmedchem.8b00885 BindingDB Entry DOI: 10.7270/Q2N87D9X
					More data for this Ligand-Target Pair
Caspase-14 (Homo sapiens (Human))	BDBM50303410 (4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...) Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human Caspase 14				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
					More data for this Ligand-Target Pair
Caspase-14 (Homo sapiens (Human))	BDBM50288833 (CHEMBL4173913) Show SMILES CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r| Show InChI InChI=1S/C39H60N6O9/c1-9-25(4)33(47)38(52)44-19-13-17-28(44)34(48)40-23-32(46)42(6)30(21-24(2)3)35(49)41-26(5)36(50)43(7)31(22-27-15-11-10-12-16-27)37(51)45-20-14-18-29(45)39(53)54-8/h10-12,15-16,24-26,28-31,33,47H,9,13-14,17-23H2,1-8H3,(H,40,48)(H,41,49)/t25-,26-,28-,29-,30-,31+,33+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human caspase 14 using Ac-WEHD-AMC fluorogenic peptide as substrate by fluorescence assay				J Med Chem 61: 6364-6378 (2018) Article DOI: 10.1021/acs.jmedchem.8b00885 BindingDB Entry DOI: 10.7270/Q2N87D9X
					More data for this Ligand-Target Pair