Compile Data Set for Download or QSAR

Found 1840 hits with Last Name = 'culshaw' and Initial = 'aj'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151885 (1-[4-(2,2-Diphenyl-ethylamino)-3-(morpholine-4-car...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C41H58N6O5S/c1-43(2)21-11-23-45(24-12-22-44(3)4)40(48)35-19-25-47(26-20-35)53(50,51)36-17-18-39(37(31-36)41(49)46-27-29-52-30-28-46)42-32-38(33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-10,13-18,31,35,38,42H,11-12,19-30,32H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151884 (CHEMBL185551 | N,N-Bis-(3-dimethylamino-propyl)-3-...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C38H54N6O5S/c1-41(2)21-11-23-43(24-12-22-42(3)4)37(45)19-20-40-50(47,48)33-17-18-36(34(29-33)38(46)44-25-27-49-28-26-44)39-30-35(31-13-7-5-8-14-31)32-15-9-6-10-16-32/h5-10,13-18,29,35,39-40H,11-12,19-28,30H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151886 (CHEMBL181695 | {2-(2,2-Diphenyl-ethylamino)-5-[4-(...) Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C38H49N5O5S/c1-29(2)40-19-21-41(22-20-40)37(44)32-15-17-43(18-16-32)49(46,47)33-13-14-36(34(27-33)38(45)42-23-25-48-26-24-42)39-28-35(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-14,27,29,32,35,39H,15-26,28H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151894 (1-[4-(2,2-Diphenyl-ethylamino)-3-nitro-benzenesulf...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C36H50N6O5S/c1-38(2)21-11-23-40(24-12-22-39(3)4)36(43)31-19-25-41(26-20-31)48(46,47)32-17-18-34(35(27-32)42(44)45)37-28-33(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-10,13-18,27,31,33,37H,11-12,19-26,28H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151891 (CHEMBL273869 | {2-(2,2-Diphenyl-ethylamino)-5-[4-(...) Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151888 (3-[3-Acetyl-4-(2,2-diphenyl-ethylamino)-benzenesul...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(C)=O Show InChI InChI=1S/C35H49N5O4S/c1-28(41)32-26-31(18-19-34(32)36-27-33(29-14-8-6-9-15-29)30-16-10-7-11-17-30)45(43,44)37-21-20-35(42)40(24-12-22-38(2)3)25-13-23-39(4)5/h6-11,14-19,26,33,36-37H,12-13,20-25,27H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151889 (CHEMBL180143 | N,N-Bis-(3-dimethylamino-propyl)-3-...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C33H46N6O5S/c1-36(2)21-11-23-38(24-12-22-37(3)4)33(40)19-20-35-45(43,44)29-17-18-31(32(25-29)39(41)42)34-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,34-35H,11-12,19-24,26H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151890 (CHEMBL181098 | N,N-Bis-(3-dimethylamino-propyl)-4-...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H41N5O4S/c1-32(2)19-11-21-34(22-12-20-33(3)4)40(38,39)27-17-18-29(30(23-27)35(36)37)31-24-28(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-10,13-18,23,28,31H,11-12,19-22,24H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151893 (4-(1-Benzyl-2-phenyl-ethylamino)-N,N-bis-(3-dimeth...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(Cc2ccccc2)Cc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C31H43N5O4S/c1-33(2)19-11-21-35(22-12-20-34(3)4)41(39,40)29-17-18-30(31(25-29)36(37)38)32-28(23-26-13-7-5-8-14-26)24-27-15-9-6-10-16-27/h5-10,13-18,25,28,32H,11-12,19-24H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151892 (3-[3-Chloro-4-(2,2-diphenyl-ethylamino)-benzenesul...) Show SMILES CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C33H46ClN5O3S/c1-37(2)21-11-23-39(24-12-22-38(3)4)33(40)19-20-36-43(41,42)29-17-18-32(31(34)25-29)35-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,35-36H,11-12,19-24,26H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B2 expressed in COS7 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50151887 (4-(Benzhydryl-amino)-N,N-bis-(3-dimethylamino-prop...) Show SMILES CN(C)CCCN(CCCN(C)C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H39N5O4S/c1-31(2)19-11-21-33(22-12-20-32(3)4)39(37,38)26-17-18-27(28(23-26)34(35)36)30-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-18,23,29-30H,11-12,19-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells				J Med Chem 47: 4642-4 (2004) Article DOI: 10.1021/jm049747g BindingDB Entry DOI: 10.7270/Q2J965V7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295065 (US10112926, Example 19 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)| Show InChI InChI=1S/C22H27N5O4S/c1-13-3-8-18(32(29,30)27-17-6-4-15(12-28)5-7-17)10-19(13)16-9-20(21(23)24-11-16)22-25-14(2)26-31-22/h3,8-11,15,17,27-28H,4-7,12H2,1-2H3,(H2,23,24)/t15-,17-	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	<3	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263555 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295115 (5-(5-((3-Methoxy-3-methylazetidin-1-yl)sulfonyl)-2...) Show SMILES COC1(C)CN(C1)S(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C20H23N5O4S/c1-12-5-6-15(30(26,27)25-10-20(3,11-25)28-4)8-16(12)14-7-17(18(21)22-9-14)19-23-13(2)24-29-19/h5-9H,10-11H2,1-4H3,(H2,21,22)	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	<3	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263609 (2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295114 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCOCC1 Show InChI InChI=1S/C23H28N4O5S/c1-15-3-4-18(33(29,30)26-13-23(14-28)5-7-31-8-6-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-32-21/h3-4,9-12,26,28H,5-8,13-14H2,1-2H3,(H2,24,25)	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	<3	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263557 (2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295052 (3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(5.15,-.34,;4.38,1,;5.29,2.24,;4.38,3.49,;2.92,3.01,;2.92,1.47,;1.59,3.78,;.25,3.01,;-1.08,3.78,;-1.08,5.32,;.25,6.09,;1.59,5.32,;2.92,6.09,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)| Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)	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	4	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295116 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCCC1 Show InChI InChI=1S/C24H30N4O4S/c1-16-6-7-19(33(30,31)27-14-24(15-29)8-4-3-5-9-24)12-20(16)18-11-21(23(25)26-13-18)22-10-17(2)28-32-22/h6-7,10-13,27,29H,3-5,8-9,14-15H2,1-2H3,(H2,25,26)	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	4	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263610 (2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295053 (US10112926, Example 8.1 | US10112926, Example 8.2) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)| Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)/t15-,16-,22?	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	5	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295089 (US10112926, Example 21b) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@@H]1CCOC1 |r| Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-16(30(25,26)24-28-15-5-6-27-11-15)9-17(12)14-8-18(20(21)22-10-14)19-7-13(2)23-29-19/h3-4,7-10,15,24H,5-6,11H2,1-2H3,(H2,21,22)/t15-/m1/s1	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	5	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263611 (2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM364540 (Trans N-(4-Hydroxy-cyclohexyl)-4-methyl-3-[6-(5-mo...) Show SMILES Cc1ccc(cc1-c1cncc(n1)-c1csc(CN2CCOCC2)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-4.16,5,;-4.16,3.47,;-5.5,2.69,;-5.5,1.15,;-4.16,.38,;-2.83,1.15,;-2.83,2.69,;-1.49,3.47,;-1.49,5,;-.16,5.78,;1.17,5,;1.17,3.47,;-.16,2.69,;2.51,2.69,;2.51,1.15,;3.97,.68,;4.88,1.93,;6.42,1.93,;7.19,.59,;6.42,-.74,;7.19,-2.08,;8.73,-2.08,;9.5,-.74,;8.73,.59,;3.97,3.17,;-4.16,-1.15,;-5.7,-1.15,;-2.62,-1.15,;-4.16,-2.69,;-5.5,-3.47,;-5.5,-5,;-6.83,-5.78,;-8.16,-5,;-9.5,-5.78,;-8.16,-3.47,;-6.83,-2.69,)| Show InChI InChI=1S/C26H32N4O4S2/c1-18-2-7-23(36(32,33)29-20-3-5-21(31)6-4-20)13-24(18)26-15-27-14-25(28-26)19-12-22(35-17-19)16-30-8-10-34-11-9-30/h2,7,12-15,17,20-21,29,31H,3-6,8-11,16H2,1H3/t20-,21-	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F):The TR-FRET Adapta™ Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, U...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q29K4DJX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263667 (2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295029 (3-{6-Amino-5-[1-(2,2,2-trifluoro-ethyl)-1H-pyrazol...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(CC(F)(F)F)c2)n1 Show InChI InChI=1S/C23H21F3N6O2S/c1-14-6-7-18(35(33,34)31-21-5-3-4-15(2)30-21)9-19(14)16-8-20(22(27)28-10-16)17-11-29-32(12-17)13-23(24,25)26/h3-12H,13H2,1-2H3,(H2,27,28)(H,30,31)	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	7	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295239 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:27.30,wD:24.26,(6.06,1.93,;4.52,1.93,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.47,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.15,5.78,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-4.52,5,;-4.52,-1.15,;-6.06,-1.15,;-2.98,-1.15,;-4.52,-2.69,;-3.19,-3.47,;-3.19,-5,;-1.85,-5.78,;-.52,-5,;.82,-5.78,;2.15,-5,;-.52,-3.47,;-1.85,-2.69,)| Show InChI InChI=1S/C23H28N4O4S/c1-14-3-8-19(32(29,30)27-18-6-4-16(13-28)5-7-18)10-20(14)17-9-21(23(24)26-11-17)22-12-25-15(2)31-22/h3,8-12,16,18,27-28H,4-7,13H2,1-2H3,(H2,24,26)/t16-,18-	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	7	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295044 (US10112926, Example 5.2 | trans 3-(6-Amino-5- (5-m...) Show SMILES Cc1cnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.93,;6.42,1.93,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.69,;.05,3.47,;.05,5,;1.38,5.78,;2.71,5,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.47,;-2.62,5,;-2.62,-1.15,;-4.16,-1.15,;-1.08,-1.15,;-2.62,-2.69,;-3.96,-3.47,;-3.96,-5,;-5.29,-5.78,;-6.62,-5,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.69,)| Show InChI InChI=1S/C22H26N4O4S/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(21(23)24-12-15)22-25-11-14(2)30-22/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,24)/t16-,17-	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	7	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	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	8	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295034 (US10112926, Example 4.2 | trans 3-(6-Amino-5-(1- (...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-5.65,4.23,;-5.65,2.69,;-6.98,1.92,;-6.98,.38,;-5.65,-.39,;-4.31,.38,;-4.31,1.92,;-2.98,2.7,;-2.98,4.24,;-1.65,5,;-.31,4.24,;1.02,5.01,;-.31,2.7,;-1.65,1.93,;1.02,1.92,;1.02,.38,;2.49,-.09,;3.39,1.15,;4.93,1.15,;5.7,2.49,;4.93,3.82,;6.47,3.82,;7.19,2.09,;2.49,2.4,;-5.65,-1.93,;-7.19,-1.93,;-4.11,-1.93,;-5.65,-3.47,;-4.31,-4.24,;-2.98,-3.47,;-1.65,-4.24,;-1.65,-5.78,;-.31,-6.55,;-2.98,-6.55,;-4.31,-5.78,)| Show InChI InChI=1S/C23H26F3N5O3S/c1-14-2-7-19(35(33,34)30-17-3-5-18(32)6-4-17)9-20(14)15-8-21(22(27)28-10-15)16-11-29-31(12-16)13-23(24,25)26/h2,7-12,17-18,30,32H,3-6,13H2,1H3,(H2,27,28)/t17-,18-	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	8	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295205 (US10112926, Example 84 | cis-3-(6-Amino-5-(3-methy...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@@H]1C[C@H](O)C1 |r,wU:25.27,27.30,(5.15,.82,;4.38,2.15,;2.92,2.63,;2.92,4.17,;4.38,4.64,;5.29,3.4,;1.59,4.94,;.25,4.17,;-1.08,4.94,;-1.08,6.48,;.25,7.25,;1.59,6.48,;2.92,7.25,;-2.42,4.17,;-2.42,2.63,;-3.75,1.86,;-5.08,2.63,;-5.08,4.17,;-3.75,4.94,;-3.75,6.48,;-3.75,.32,;-2.21,.32,;-5.29,.32,;-3.75,-1.22,;-2.42,-1.99,;-2.42,-3.53,;-3.5,-4.62,;-2.42,-5.71,;-2.42,-7.25,;-1.33,-4.62,)| Show InChI InChI=1S/C21H24N4O4S/c1-12-3-4-17(30(27,28)24-10-14-6-16(26)7-14)9-18(12)15-8-19(21(22)23-11-15)20-5-13(2)25-29-20/h3-5,8-9,11,14,16,24,26H,6-7,10H2,1-2H3,(H2,22,23)/t14-,16+	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	8	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295170 (US10112926, Example 55 | trans-3-(6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;7.81,1.31,;6.91,2.56,;5.45,2.08,;5.45,.54,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)| Show InChI InChI=1S/C19H21N5O5S/c1-10-3-4-15(30(26,27)24-28-14-6-13(25)7-14)8-16(10)12-5-17(18(20)21-9-12)19-22-11(2)23-29-19/h3-5,8-9,13-14,24-25H,6-7H2,1-2H3,(H2,20,21)/t13-,14-	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	8	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295105 (3-(6-Amino-5-(3-propyl isoxazol-5-yl)pyridin-3-yl)...) Show SMILES CCCc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C22H28N4O4S/c1-5-6-16-10-20(30-26-16)19-9-15(12-24-21(19)23)18-11-17(8-7-14(18)2)31(28,29)25-13-22(3,4)27/h7-12,25,27H,5-6,13H2,1-4H3,(H2,23,24)	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	8	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25136 (2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295182 (3-(6-Amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)COC1 Show InChI InChI=1S/C21H24N4O5S/c1-13-3-4-16(31(27,28)25-9-21(10-26)11-29-12-21)6-17(13)15-5-18(20(22)24-7-15)19-8-23-14(2)30-19/h3-8,25-26H,9-12H2,1-2H3,(H2,22,24)	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	9	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295106 (US10112926, Example 35.2 | trans-3-(6-Amino-5-(3-(...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cc(no1)C(C)(C)C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.29,wD:30.33,(-4.24,5,;-4.24,3.46,;-5.57,2.69,;-5.57,1.15,;-4.24,.38,;-2.91,1.15,;-2.91,2.69,;-1.57,3.46,;-1.57,5,;-.24,5.77,;1.1,5,;2.43,5.77,;1.1,3.46,;-.24,2.69,;2.43,2.69,;2.43,1.15,;3.89,.68,;4.8,1.92,;3.89,3.17,;4.29,-.81,;5.78,-1.21,;3.2,-1.9,;4.69,-2.3,;-4.24,-1.15,;-2.7,-1.16,;-5.78,-1.15,;-4.24,-2.69,;-2.91,-3.46,;-1.57,-2.69,;-.24,-3.46,;-.24,-5,;1.1,-5.77,;-1.57,-5.77,;-2.91,-5,)| Show InChI InChI=1S/C25H32N4O4S/c1-15-5-10-19(34(31,32)29-17-6-8-18(30)9-7-17)12-20(15)16-11-21(24(26)27-14-16)22-13-23(28-33-22)25(2,3)4/h5,10-14,17-18,29-30H,6-9H2,1-4H3,(H2,26,27)/t17-,18-	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	9	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295218 (US10112926, Example 96 | trans-3-(6-amino-5-(3-met...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C21H24N4O4S/c1-12-3-6-17(30(27,28)25-15-4-5-16(26)9-15)10-18(12)14-8-19(21(22)23-11-14)20-7-13(2)24-29-20/h3,6-8,10-11,15-16,25-26H,4-5,9H2,1-2H3,(H2,22,23)/t15?,16-/m1/s1	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	9	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295245 (3-(6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrid...) Show SMILES Cc1nnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C20H25N5O3S2/c1-12-5-6-15(30(27,28)23-8-7-20(3,4)26)10-16(12)14-9-17(18(21)22-11-14)19-25-24-13(2)29-19/h5-6,9-11,23,26H,7-8H2,1-4H3,(H2,21,22)	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	9.40	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295063 (3-[6-Amino-5-(3-methyl-isoxazol-5-yl)-pyridin-3-yl...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(C)COC1 Show InChI InChI=1S/C21H24N4O4S/c1-13-4-5-16(30(26,27)24-10-21(3)11-28-12-21)8-17(13)15-7-18(20(22)23-9-15)19-6-14(2)25-29-19/h4-9,24H,10-12H2,1-3H3,(H2,22,23)	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	10	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM364537 (N-(3-Hydroxy-3-methyl-butyl)-4-methyl-3-{6-[1-(2-m...) Show SMILES Cc1ccc(cc1-c1cncc(n1)-c1cnn(CCN2CCOCC2)c1)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C25H34N6O4S/c1-19-4-5-21(36(33,34)28-7-6-25(2,3)32)14-22(19)24-17-26-16-23(29-24)20-15-27-31(18-20)9-8-30-10-12-35-13-11-30/h4-5,14-18,28,32H,6-13H2,1-3H3	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description PI 3-Kinase Alpha (A), Pb 3-Kinase Beta (B), Vps34 (C), PI 4-Kinase Beta (D):The luminescence-based ATP detection reagent KinaseGlo was obtained from...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q29K4DJX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM295099 (3-(6-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-y...) Show SMILES Cc1cccc(NS(=O)(=O)c2ccc(C)c(c2)-c2cnc(N)c(c2)-c2cnn(C)c2)n1 Show InChI InChI=1S/C22H22N6O2S/c1-14-7-8-18(31(29,30)27-21-6-4-5-15(2)26-21)10-19(14)16-9-20(22(23)24-11-16)17-12-25-28(3)13-17/h4-13H,1-3H3,(H2,23,24)(H,26,27)	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	10	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains t...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair

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