Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 10943   

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))	BDBM580120 (4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluorom...) Show SMILES FC(F)(F)c1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580171 (4-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoro...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ncc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580186 (4-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoro...) Show SMILES FC(F)(F)c1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ncc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580185 (4-[2-Oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)C#N 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580183 (4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-...) Show SMILES FC(F)(F)c1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)C1CC1 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580182 (4-[2-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin...) Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)C#N 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580179 (6-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin-1-...) Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(C)cc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580178 (6-[4-[(4-fluorophenyl)methylsulfonyl]-2-(trifluoro...) Show SMILES Fc1ccc(CS(=O)(=O)N2CCN(C(C2)C(F)(F)F)c2cc(cc(=O)[nH]2)-c2ccnc3[nH]ccc23)cc1 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580165 (6-(2-Chlorophenyl)-4-[2-(3-pyridyl)-1H-pyrrolo[2,3...) Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cccnc1 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580166 (6-(2-Chlorophenyl)-4-(2-methyl-1H-pyrrolo[2,3-b]py...) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)-c1ccccc1Cl 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580167 (4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(trifluorom...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580168 (4-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[2-(t...) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)N1CCCCC1C(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	<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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580170 (4-[2-(5-Methyl-2-thienyl)-1H-pyrrolo[2,3-b]pyridin...) Show SMILES Cc1ccc(s1)-c1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)N1CCOCC1C(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	<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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580187 (6-[4-Methylsulfonyl-2-(trifluoromethyl)piperazin-1...) Show SMILES CS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ncc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580172 (6-[2-(Trifluoromethyl)-1-piperidyl]-4-[2-[2-(trifl...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cnc(nc1)C(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	<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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580173 (4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[3-(trifluorom...) Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580174 (6-[2-(Trifluoromethyl)-1-piperidyl]-4-[2-[6-(trifl...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1ccc(nc1)C(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	<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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580176 (4-(2-Cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-...) Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)C1CC1 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580177 (6-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin-1-...) Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580175 (6-[2-(Trifluoromethyl)-1-piperidyl]-4-[2-[5-(trifl...) Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cncc(c1)C(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	7	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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580164 (6-(2-Chlorophenyl)-4-(2-oxazol-5-yl-1H-pyrrolo[2,3...) Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cnco1 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	8	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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580121 (6-(2-phenylpyrrolidin-1-yl)-4-(1H-pyrrolo[2,3-b]py...) Show SMILES O=c1cc(cc([nH]1)N1CCCC1c1ccccc1)-c1ccnc2[nH]ccc12 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	10	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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580133 (4-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-morph...) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)N1CCOCC1 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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580122 (6-(3-Methyl-4-pyridyl)-4-(1H-pyrrolo[2,3-b]pyridin...) Show SMILES Cc1cnccc1-c1cc(cc(=O)[nH]1)-c1ccnc2[nH]ccc12 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	20	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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580163 (4-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(3-py...) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1cc([nH]c(=O)c1)-c1cccnc1 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	24	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/Q24J0JZJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM580169 (6-[3-(Trifluoromethyl)morpholin-4-yl]-4-[2-[3-(tri...) Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc2[nH]c(cc12)-c1cccc(c1)C(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	34	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/Q24J0JZJ
					More data for this Ligand-Target Pair