Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 10383   

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
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532262 (4-(2-anilinopyrimidin-4-yl)-6-(2-chlorophenyl)-1H-...) Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532281 (6-(2-Chlorophenyl)-4-[2-[(2-methylpyrimidin-4-yl)a...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2Cl)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532263 (4-(2-Anilinopyrimidin-4-yl)-6-(3-pyridyl)-1H-pyrid...) Show SMILES O=c1cc(cc([nH]1)-c1cccnc1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532279 (6-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[2-[...) Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532278 (4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cccnc2C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532277 (6-(4-Methyl-3-pyridyl)-4-[2-[(2-methylpyrimidin-4-...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cnccc2C)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532274 (4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532265 (4-(2-anilinopyrimidin-4-yl)-6-morpholino-1H-pyridi...) Show SMILES O=c1cc(cc([nH]1)N1CCOCC1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532266 (4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCCCC2C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532267 (4-(2-Anilinopyrimidin-4-yl)-6-[2-(trifluoromethyl)...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532268 (4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCOCC2C(F)(F)F)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532269 (4-(2-Anilinopyrimidin-4-yl)-6-[3-(trifluoromethyl)...) Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532270 (6-[4-[(4-Fluorophenyl)methylsulfonyl]-2-(trifluoro...) Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCN(CC2C(F)(F)F)S(=O)(=O)Cc2ccc(F)cc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532271 (6-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin-1-...) Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532272 (4-[2-(Oxazol-2-ylamino)-4-pyridyl]-6-[3-(trifluoro...) Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ncco2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532264 (4-(2-Anilinopyrimidin-4-yl)-6-(4-pyridyl)-1H-pyrid...) Show SMILES O=c1cc(cc([nH]1)-c1ccncc1)-c1ccnc(Nc2ccccc2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532280 (4-[2-[(1-Methylimidazol-4-yl)amino]-4-pyridyl]-6-[...) Show SMILES Cn1cnc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2C(F)(F)F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532273 (4-[2-[(2-Methylthiazol-4-yl)amino]-4-pyridyl]-6-[3...) Show SMILES Cc1nc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCOCC2C(F)(F)F)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532276 (4-[2-[(2-Methylthiazol-4-yl)amino]-4-pyridyl]-6-[2...) Show SMILES Cc1nc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2C(F)(F)F)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM532275 (4-[2-[(2-Methylpyrazol-3-yl)amino]-4-pyridyl]-6-[2...) Show SMILES Cn1nccc1Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1ccccc1C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...				Citation and Details BindingDB Entry DOI: 10.7270/Q28055SC
					More data for this Ligand-Target Pair