Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 6166   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112790 (US8628961, PIT-7) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-14-10-15(2)12-18(11-14)21(26)24-22(27)23-19-13-17(8-9-20(19)25)16-6-4-3-5-7-16/h3-13,25H,1-2H3,(H2,23,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112786 (US8628961, PIT-3) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(C)c(Cl)c1C Show InChI InChI=1S/C18H19ClN2O2S/c1-9-5-10(2)7-13(6-9)17(23)21-18(24)20-16-12(4)15(19)11(3)8-14(16)22/h5-8,22H,1-4H3,(H2,20,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112789 (US8628961, PIT-6) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(C)c(Br)c1C Show InChI InChI=1S/C18H19BrN2O2S/c1-9-5-10(2)7-13(6-9)17(23)21-18(24)20-16-12(4)15(19)11(3)8-14(16)22/h5-8,22H,1-4H3,(H2,20,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112788 (US8628961, PIT-5) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(cc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H14F6N2O2S/c1-8-3-9(2)5-10(4-8)15(28)26-16(29)25-14-12(18(22,23)24)6-11(7-13(14)27)17(19,20)21/h3-7,27H,1-2H3,(H2,25,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112787 (US8628961, PIT-4) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O2S/c1-9-5-10(2)7-11(6-9)15(24)22-16(25)21-13-8-12(17(18,19)20)3-4-14(13)23/h3-8,23H,1-2H3,(H2,21,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112785 (US8628961, DM-PIT-1) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM112784 (US8628961, PIT-1) Show SMILES Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
Cytohesin-3 (Homo sapiens (Human))	BDBM112785 (US8628961, DM-PIT-1) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
Cytohesin-3 (Homo sapiens (Human))	BDBM112784 (US8628961, PIT-1) Show SMILES Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM112790 (US8628961, PIT-7) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-14-10-15(2)12-18(11-14)21(26)24-22(27)23-19-13-17(8-9-20(19)25)16-6-4-3-5-7-16/h3-13,25H,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.23E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM112784 (US8628961, PIT-1) Show SMILES Oc1c(Cl)cc(cc1NC(=S)NC(=O)c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.67E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM112785 (US8628961, DM-PIT-1) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.05E+4	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM112786 (US8628961, PIT-3) Show SMILES Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1c(O)cc(C)c(Cl)c1C Show InChI InChI=1S/C18H19ClN2O2S/c1-9-5-10(2)7-13(6-9)17(23)21-18(24)20-16-12(4)15(19)11(3)8-14(16)22/h5-8,22H,1-4H3,(H2,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a	7.5	25
Tufts University; Council of Scientific and Industrial Research US Patent					Assay Description In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding ass...				US Patent US8628961 (2014) BindingDB Entry DOI: 10.7270/Q2MG7N5S
					More data for this Ligand-Target Pair