Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50017262   

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
Pantetheinase (Homo sapiens (Human))	BDBM50600535 (CHEMBL5172300) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600538 (CHEMBL5178654) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600539 (CHEMBL5181854) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600540 (CHEMBL5173400) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600536 (CHEMBL5170185) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600532 (CHEMBL5201071) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600530 (CHEMBL5188262) Show SMILES COc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600529 (CHEMBL5182223) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600541 (CHEMBL5170521) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600531 (CHEMBL5205367) Show SMILES Cc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600533 (CHEMBL5181591) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc2ccccc2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600534 (CHEMBL5207940) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600537 (CHEMBL5200225) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1OC(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair