Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 10332   

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
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528405 (5-(4-Chloro-3-methoxyphenyl)-2-(4-chlorophenyl)-[1...) Show SMILES COc1cc(ccc1Cl)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528476 (5-(4-Chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-[1...) Show SMILES COc1cc(ccc1Cl)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528477 (5-(Benzo[d][1,3]dioxol-5-yl)-2-(4-chlorophenyl)-[1...) Show SMILES Clc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccc2OCOc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528478 (5-(2-Methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a...) Show SMILES COc1ccccc1-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528479 (2,5-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)...) Show SMILES O=c1cc([nH]c2nc(nn12)-c1ccccc1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528486 (5-(4-Methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidi...) Show SMILES COc1ccc(cc1)-c1cc(=O)n2ncnc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528481 (5-(3-Methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a...) Show SMILES COc1cccc(c1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528482 (2-(4-Chlorophenyl)-5-(4-methoxyphenyl)-[1,2,4]tria...) Show SMILES COc1ccc(cc1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccc(Cl)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528483 (2-(4-Methoxyphenyl)-5-phenyl-[1,2,4]triazolo[1,5-a...) Show SMILES COc1ccc(cc1)-c1nc2[nH]c(cc(=O)n2n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528484 (2-(2-Chlorophenyl)-5-phenyl-[1,2,4]triazolo[1,5-a]...) Show SMILES Clc1ccccc1-c1nc2[nH]c(cc(=O)n2n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528485 (5-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyri...) Show SMILES COc1ccc(cc1OC)-c1cc(=O)n2ncnc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM528480 (5-(4-Methoxyphenyl)-2-phenyl-[1,2,4]triazolo[1,5-a...) Show SMILES COc1ccc(cc1)-c1cc(=O)n2nc(nc2[nH]1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2V1280S
					More data for this Ligand-Target Pair