Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'hwang' and Initial = 'tl'   

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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592246 (T3-CLK) Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592247 (CHEMBL5200367) Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592247 (CHEMBL5200367) Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592235 (CHEMBL5205505) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(F)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50592236 (CHEMBL5206943) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(Cl)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592236 (CHEMBL5206943) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(Cl)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592249 (CHEMBL5191395) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cc(F)cc(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592246 (T3-CLK) Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM50321752 (5-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...) Show SMILES COc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO3/c1-19-12-8-3-2-5-9(12)14-17-11-7-4-6-10(16)13(11)15(18)20-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592237 (CHEMBL5172542) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592238 (CHEMBL5191525) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cccc(F)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321750 (5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...) Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321749 (5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321750 (5-Chloro-2-(2-bromophenyl)-4H-benzo[d][1,3]oxazin-...) Show SMILES Clc1cccc2nc(oc(=O)c12)-c1ccccc1Br Show InChI InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.5	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321749 (5-Chloro-2-(2-chlorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Clc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7Cl2NO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321748 (5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592239 (CHEMBL5183331) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321752 (5-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...) Show SMILES COc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO3/c1-19-12-8-3-2-5-9(12)14-17-11-7-4-6-10(16)13(11)15(18)20-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321751 (5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.8	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592240 (CHEMBL5177305) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1OC(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063047 (CHEMBL3398148) Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321748 (5-Chloro-2-(2-fluorophenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Fc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C14H7ClFNO2/c15-9-5-3-7-11-12(9)14(18)19-13(17-11)8-4-1-2-6-10(8)16/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.7	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321751 (5-Chloro-2-(2-methylphenyl)-4H-benzo[d][1,3]oxazin...) Show SMILES Cc1ccccc1-c1nc2cccc(Cl)c2c(=O)o1 Show InChI InChI=1S/C15H10ClNO2/c1-9-5-2-3-6-10(9)14-17-12-8-4-7-11(16)13(12)15(18)19-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57.1	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase after 30 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592241 (CHEMBL5206862) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592242 (CHEMBL5174345) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(Br)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592243 (CHEMBL5181998) Show SMILES CCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592244 (CHEMBL5194284) Show SMILES CCCOc1ccccc1C(=O)NC(=O)c1cc2cc(OC)ccc2s1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50592245 (CHEMBL5200302) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccccc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063052 (CHEMBL3398143) Show SMILES CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063048 (CHEMBL3398147) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C=O Show InChI InChI=1S/C18H19NO5S/c1-18(2,3)17(21)24-14-8-10-15(11-9-14)25(22,23)19-16-7-5-4-6-13(16)12-20/h4-12,19H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592249 (CHEMBL5191395) Show SMILES COc1ccc2sc(cc2c1)C(=O)N(C)Cc1cc(F)cc(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063053 (CHEMBL3398164) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCCO Show InChI InChI=1S/C20H24N2O6S/c1-20(2,3)19(25)28-14-8-10-15(11-9-14)29(26,27)22-17-7-5-4-6-16(17)18(24)21-12-13-23/h4-11,22-23H,12-13H2,1-3H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Mus musculus)	BDBM50084637 (2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50063051 (CHEMBL3398144) Show SMILES CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C20H23NO5S/c1-5-18(22)16-8-6-7-9-17(16)21-27(24,25)15-12-10-14(11-13-15)26-19(23)20(2,3)4/h6-13,21H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Mus musculus)	BDBM50063047 (CHEMBL3398148) Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50026622 (CHEMBL408982) Show SMILES CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50592248 (CHEMBL5178079) Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Myeloblastin (Homo sapiens (Human))	BDBM50063047 (CHEMBL3398148) Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry				Bioorg Med Chem 23: 1123-34 (2015) Article DOI: 10.1016/j.bmc.2014.12.056 BindingDB Entry DOI: 10.7270/Q2CJ8G5M
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50321747 (7-Chloro-2-(2-methoxyphenyl)-4H-benzo[d][1,3]oxazi...) Show SMILES COc1ccccc1-c1nc2cc(Cl)ccc2c(=O)o1 Show InChI InChI=1S/C15H10ClNO3/c1-19-13-5-3-2-4-11(13)14-17-12-8-9(16)6-7-10(12)15(18)20-14/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung University Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase after 2 mins by ELISA				Eur J Med Chem 45: 3111-5 (2010) Article DOI: 10.1016/j.ejmech.2010.03.046 BindingDB Entry DOI: 10.7270/Q2251JCW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592242 (CHEMBL5174345) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(Br)cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592235 (CHEMBL5205505) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1ccc(F)cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592237 (CHEMBL5172542) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cc(F)ccc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50592238 (CHEMBL5191525) Show SMILES COc1ccc2sc(cc2c1)C(=O)NC(=O)c1cccc(F)n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114411 BindingDB Entry DOI: 10.7270/Q29Z98V0
					More data for this Ligand-Target Pair

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