Compile Data Set for Download or QSAR

Found 1228 hits with Last Name = 'guzi' and Initial = 't'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598680 (CHEMBL5173517) Show SMILES CC(C)c1cnc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598682 (CHEMBL5206444) Show SMILES CC(C)c1ccc(N2CC(CS(C)(=O)=O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598681 (CHEMBL5200991) Show SMILES CC(C)c1cnc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598668 (CHEMBL5195164) Show SMILES CC(C)c1cnc(N2CC[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598673 (CHEMBL5207390) Show SMILES CC(C)c1cnc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598683 (CHEMBL5196495) Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598686 (BLU-945 | BLU945 | Blu-945) Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598685 (CHEMBL5208737) Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@](C)(O)[C@@H](F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM333988 ((S)-1-(3-((9-ethyl-8-(6-methoxy- 5-methylpyridin-3...) Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(OC)c(C)c1 Show InChI InChI=1S/C21H26N6O3/c1-5-16(28)26-8-7-15(11-26)30-21-17-19(23-12-24-21)27(6-2)18(25-17)14-9-13(3)20(29-4)22-10-14/h9-10,12,15H,5-8,11H2,1-4H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598675 (CHEMBL5185207) Show SMILES CC(C)c1ccc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598684 (CHEMBL5194722) Show SMILES CC[C@]1(F)CN(CC[C@H]1O)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM333882 (US9730940, Compound 1-35 | tert-butyl (3S)-3-{[8-(...) Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(s1)C(C)(C)C Show InChI InChI=1S/C23H32N6O3S/c1-8-29-17(15-11-24-20(33-15)22(2,3)4)27-16-18(29)25-13-26-19(16)31-14-9-10-28(12-14)21(30)32-23(5,6)7/h11,13-14H,8-10,12H2,1-7H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512300 (CHEMBL4575012) Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H30N8O2/c1-4-30-14(2)17(11-25-30)20-27-18-19(23-13-24-21(18)28(20)3)26-16-5-8-29(12-16)22(31)15-6-9-32-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3,(H,23,24,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818 BindingDB Entry DOI: 10.7270/Q2V98CDF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM333992 ((S)-1-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol...) Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C Show InChI InChI=1S/C20H27N7O2/c1-5-16(28)25-9-8-14(11-25)29-20-17-19(21-12-22-20)26(6-2)18(24-17)15-10-23-27(7-3)13(15)4/h10,12,14H,5-9,11H2,1-4H3	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM333881 (US9730940, Compound 1-34 | tert-butyl (3S)-3-{[9-e...) Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1 Show InChI InChI=1S/C23H30N6O4/c1-7-29-18(15-10-14(2)20(31-6)24-11-15)27-17-19(29)25-13-26-21(17)32-16-8-9-28(12-16)22(30)33-23(3,4)5/h10-11,13,16H,7-9,12H2,1-6H3	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598687 (CHEMBL5193016) Show SMILES CO[C@@H]1[C@H](O)CN(CC1(F)F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598686 (BLU-945 | BLU945 | Blu-945) Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598686 (BLU-945 | BLU945 | Blu-945) Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512313 (CHEMBL4435694) Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r| Show InChI InChI=1S/C20H26N8O/c1-4-28-12(2)15(9-23-28)18-25-16-17(21-11-22-19(16)26(18)3)24-14-7-8-27(10-14)20(29)13-5-6-13/h9,11,13-14H,4-8,10H2,1-3H3,(H,21,22,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818 BindingDB Entry DOI: 10.7270/Q2V98CDF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598679 (CHEMBL5170376) Show SMILES CC(C)c1cnc(N2CC(C2)C(=O)N(C)C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334032 (9-ethyl-6-{[(3S)-1-{[(1S,2S)- or (1R,2R)-2- (fluor...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CF)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C21H24FN7O2/c1-3-29-18(14-8-23-12(2)24-9-14)27-17-19(29)25-11-26-20(17)31-15-4-5-28(10-15)21(30)16-6-13(16)7-22/h8-9,11,13,15-16H,3-7,10H2,1-2H3/t13?,15-,16?/m0/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332171 ((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...) Show SMILES NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598678 (CHEMBL5187021) Show SMILES CNC(=O)C1CN(C1)c1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)ncc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334043 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H24N6O3/c1-3-27-18(14-6-7-16(29-2)22-10-14)25-17-19(27)23-12-24-20(17)30-15-8-9-26(11-15)21(28)13-4-5-13/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334026 (6-({(3S)-1-[S- or R-(2,2- dimethylcyclopropyl)carb...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3(C)C)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C22H27N7O2/c1-5-29-18(14-9-23-13(2)24-10-14)27-17-19(29)25-12-26-20(17)31-15-6-7-28(11-15)21(30)16-8-22(16,3)4/h9-10,12,15-16H,5-8,11H2,1-4H3/t15-,16?/m0/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334021 (9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H29N7O2/c1-3-31-20(16-11-25-15(2)26-12-16)29-19-21(31)27-14-28-22(19)33-17-6-9-30(13-17)23(32)18-10-24(18)7-4-5-8-24/h11-12,14,17-18H,3-10,13H2,1-2H3/t17-,18?/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(15-9-23-14(3)24-10-15)27-18-20(29)25-12-26-21(18)31-16-7-8-28(11-16)22(30)17-6-5-13(17)2/h9-10,12-13,16-17H,4-8,11H2,1-3H3/t13?,16-,17?/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334177 ((S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C22H24F3N7O3/c1-3-32-18(13-4-5-16(26-8-13)22(23,24)25)29-17-19(32)27-12-28-20(17)35-14-6-7-30(9-14)21(33)31-10-15(11-31)34-2/h4-5,8,12,14-15H,3,6-7,9-11H2,1-2H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334079 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn(c1C)-c1ccccc1 |r| Show InChI InChI=1S/C25H27N7O2/c1-3-31-22(20-13-28-32(16(20)2)18-7-5-4-6-8-18)29-21-23(31)26-15-27-24(21)34-19-11-12-30(14-19)25(33)17-9-10-17/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3/t19-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598683 (CHEMBL5196495) Show SMILES CC(C)c1ccc(N2C[C@H](CS(C)(=O)=O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334099 (N-[5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H27N7O5S/c1-4-29-18(14-9-16(27-35(3,31)32)20(33-2)23-10-14)26-17-19(29)24-12-25-21(17)34-15-7-8-28(11-15)22(30)13-5-6-13/h9-10,12-13,15,27H,4-8,11H2,1-3H3/t15-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334085 (8-(5-chloro-6-methoxypyridin- 3-yl)-6-{[(3S)-1- (c...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(Cl)c1 |r| Show InChI InChI=1S/C21H23ClN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334108 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(C)c1 |r| Show InChI InChI=1S/C22H26N6O3/c1-4-28-18(15-9-13(2)20(30-3)23-10-15)26-17-19(28)24-12-25-21(17)31-16-7-8-27(11-16)22(29)14-5-6-14/h9-10,12,14,16H,4-8,11H2,1-3H3/t16-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334110 (6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C22H24F2N6O3/c1-3-30-18(13-4-5-16(32-2)25-10-13)28-17-19(30)26-12-27-20(17)33-15-6-7-29(11-15)21(31)14-8-22(23,24)9-14/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3/t15-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334083 (5-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(13-8-15(22(23,24)25)19(33-2)26-9-13)29-16-18(31)27-11-28-20(16)34-14-6-7-30(10-14)21(32)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334112 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C21H23FN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334113 (9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C21H25FN6O3/c1-5-28-17(13-8-15(22)19(30-4)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334114 (6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(12-6-15(23)19(33-2)26-9-12)29-16-18(31)27-11-28-20(16)34-14-4-5-30(10-14)21(32)13-7-22(24,25)8-13/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334115 (9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C23H27FN6O4/c1-3-30-19(15-10-17(24)21(32-2)25-11-15)28-18-20(30)26-13-27-22(18)34-16-4-7-29(12-16)23(31)14-5-8-33-9-6-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t16-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334116 (9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc12)-c1cnc(OC)c(F)c1 |r| Show InChI InChI=1S/C22H23FN8O3/c1-4-31-18(13-9-15(23)20(33-3)24-10-13)27-17-19(31)25-12-26-21(17)34-14-5-8-30(11-14)22(32)16-6-7-29(2)28-16/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334081 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc2[nH]ccc2c1 |r| Show InChI	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334119 (6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C22H27N7O2/c1-2-28-19(16-11-25-29-9-4-3-5-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14-6-7-14/h11,13-15H,2-10,12H2,1H3/t15-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334122 (9-ethyl-6-{[(3S)-1-(2- methylpropanoyl)pyrrolidin-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12 |r| Show InChI InChI=1S/C22H29N7O2/c1-4-28-19(16-11-25-29-9-6-5-7-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14(2)3/h11,13-15H,4-10,12H2,1-3H3/t15-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334126 ((S)-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol-4...) Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1CC |r| Show InChI InChI=1S/C23H31N7O3/c1-4-29-20(18-12-26-30(5-2)15(18)3)27-19-21(29)24-14-25-22(19)33-17-6-9-28(13-17)23(31)16-7-10-32-11-8-16/h12,14,16-17H,4-11,13H2,1-3H3/t17-/m0/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332159 ((S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)t...) Show SMILES NC(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332163 ((S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C22H25N5O2S/c1-27(2)22(29)14-7-5-13(6-8-14)18-10-16-19(30-18)17(20(23)28)12-25-21(16)26-15-4-3-9-24-11-15/h5-8,10,12,15,24H,3-4,9,11H2,1-2H3,(H2,23,28)(H,25,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50598686 (BLU-945 | BLU945 | Blu-945) Show SMILES CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00704 BindingDB Entry DOI: 10.7270/Q2RJ4PHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334102 (5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N7O2/c1-2-31-17(12-7-14(21(22,23)24)16(25)26-8-12)29-15-18(31)27-10-28-19(15)33-13-5-6-30(9-13)20(32)11-3-4-11/h7-8,10-11,13H,2-6,9H2,1H3,(H2,25,26)/t13-/m0/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM334016 (9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(15-9-23-14(3)24-10-15)27-18-20(29)25-12-26-21(18)31-16-7-8-28(11-16)22(30)17-6-5-13(17)2/h9-10,12-13,16-17H,4-8,11H2,1-3H3/t13?,16-,17?/m0/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM84747 ((B) ZD6474 | US10155768, Vandetanib | US10183928, ...) Show SMILES CN1CCC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2C)CC1 Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 μL of buffer (100 mM HE...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q22V2JDM
					More data for this Ligand-Target Pair

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