Compile Data Set for Download or QSAR

Found 1213 hits of ic50 data for polymerid = 50003140   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462353 (US10766902, Example 67) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4COC[C@@H]4C3)nc12 |r| Show InChI InChI=1S/C27H30N8O3S/c1-4-12-34-26(36)22-13-28-27(31-25(22)35(34)24-7-5-6-23(30-24)32-39(2,3)37)29-20-8-10-21(11-9-20)33-14-18-16-38-17-19(18)15-33/h4-11,13,18-19H,1,12,14-17H2,2-3H3,(H,28,29,31)/t18-,19+	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5278196 Show SMILES Nc1nc(NCCCOc2ccc(Cl)cc2)c(N=O)c(=O)[nH]1 Show InChI InChI=1S/C13H14ClN5O3/c14-8-2-4-9(5-3-8)22-7-1-6-16-11-10(19-21)12(20)18-13(15)17-11/h2-5H,1,6-7H2,(H4,15,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462308 (US10766902, Example 21) Show SMILES Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCOCC1 Show InChI InChI=1S/C26H30N8O3S/c1-5-11-33-25(35)20-17-27-26(28-19-9-10-21(18(2)16-19)32-12-14-37-15-13-32)30-24(20)34(33)23-8-6-7-22(29-23)31-38(3,4)36/h5-10,16-17H,1,11-15H2,2-4H3,(H,27,28,30)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462323 (US10766902, Example 36) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)nc12 Show InChI InChI=1S/C27H30N8O3S/c1-4-14-34-26(36)22-15-28-27(31-25(22)35(34)24-7-5-6-23(30-24)32-39(2,3)37)29-18-8-10-19(11-9-18)33-16-20-12-13-21(17-33)38-20/h4-11,15,20-21H,1,12-14,16-17H2,2-3H3,(H,28,29,31)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462376 (US10766902, Example 89) Show SMILES COCCN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C25H30N8O3S/c1-6-14-32-24(34)20-17-26-25(27-18-10-12-19(13-11-18)31(2)15-16-36-3)29-23(20)33(32)22-9-7-8-21(28-22)30-37(4,5)35/h6-13,17H,1,14-16H2,2-5H3,(H,26,27,29)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462377 (US10766902, Example 90) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC3)nc12 Show InChI InChI=1S/C24H26N8O2S/c1-4-13-31-23(33)19-16-25-24(26-17-9-11-18(12-10-17)30-14-6-15-30)28-22(19)32(31)21-8-5-7-20(27-21)29-35(2,3)34/h4-5,7-12,16H,1,6,13-15H2,2-3H3,(H,25,26,28)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5284925 Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccccc1 Show InChI InChI=1S/C14H13N3O2/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12/h1-9H,(H4,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462343 (US10766902, Example 57) Show SMILES CN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C23H26N8O2S/c1-6-14-30-22(32)18-15-24-23(25-16-10-12-17(13-11-16)29(2)3)27-21(18)31(30)20-9-7-8-19(26-20)28-34(4,5)33/h6-13,15H,1,14H2,2-5H3,(H,24,25,27)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462327 (US10766902, Example 40) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)cc3)nc12 Show InChI InChI=1S/C21H20FN7O2S/c1-4-12-28-20(30)16-13-23-21(24-15-10-8-14(22)9-11-15)26-19(16)29(28)18-7-5-6-17(25-18)27-32(2,3)31/h4-11,13H,1,12H2,2-3H3,(H,23,24,26)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462360 (US10766902, Example 74) Show SMILES COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cncc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r| Show InChI InChI=1S/C26H31N9O4S/c1-5-10-34-25(36)21-13-28-26(31-24(21)35(34)23-15-27-14-22(30-23)32-40(3,4)37)29-18-6-8-19(9-7-18)33-11-12-39-20(16-33)17-38-2/h5-9,13-15,20H,1,10-12,16-17H2,2-4H3,(H,28,29,31)/t20-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462340 (US10766902, Example 54) Show SMILES COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r| Show InChI InChI=1S/C27H32N8O4S/c1-5-13-34-26(36)22-16-28-27(31-25(22)35(34)24-8-6-7-23(30-24)32-40(3,4)37)29-19-9-11-20(12-10-19)33-14-15-39-21(17-33)18-38-2/h5-12,16,21H,1,13-15,17-18H2,2-4H3,(H,28,29,31)/t21-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462354 (US10766902, Example 68) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4C[C@H]3CO4)nc12 |r| Show InChI InChI=1S/C26H28N8O3S/c1-4-12-33-25(35)21-14-27-26(28-17-8-10-18(11-9-17)32-15-20-13-19(32)16-37-20)30-24(21)34(33)23-7-5-6-22(29-23)31-38(2,3)36/h4-11,14,19-20H,1,12-13,15-16H2,2-3H3,(H,27,28,30)/t19-,20-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462367 (US10766902, Example 80) Show SMILES CC(C)n1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cn1 Show InChI InChI=1S/C21H25N9O2S/c1-6-10-29-20(31)16-12-22-21(24-15-11-23-28(13-15)14(2)3)26-19(16)30(29)18-9-7-8-17(25-18)27-33(4,5)32/h6-9,11-14H,1,10H2,2-5H3,(H,22,24,26)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462295 (US10766902, Example 8) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CC3)C3CC3)nc12 Show InChI InChI=1S/C28H33N9O2S/c1-4-14-36-27(38)23-19-29-28(32-26(23)37(36)25-7-5-6-24(31-25)33-40(2,3)39)30-20-8-10-21(11-9-20)34-15-17-35(18-16-34)22-12-13-22/h4-11,19,22H,1,12-18H2,2-3H3,(H,29,30,32)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462348 (US10766902, Example 62) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C21H20ClN7O2S/c1-4-12-28-20(30)16-13-23-21(24-15-10-8-14(22)9-11-15)26-19(16)29(28)18-7-5-6-17(25-18)27-32(2,3)31/h4-11,13H,1,12H2,2-3H3,(H,23,24,26)	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462355 (US10766902, Example 69) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)nc12 |w:33.37| Show InChI InChI=1S/C26H28F3N9O2S/c1-4-13-37-24(39)19-15-31-25(34-23(19)38(37)22-7-5-6-21(33-22)35-41(2,3)40)32-17-8-10-18(11-9-17)36-14-12-30-20(16-36)26(27,28)29/h4-11,15,20,30H,1,12-14,16H2,2-3H3,(H,31,32,34)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462375 (US10766902, Example 88) Show SMILES Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1C1CCN(CC1)C1CCC1 Show InChI InChI=1S/C31H38N8O2S/c1-5-16-38-30(40)26-20-32-31(35-29(26)39(38)28-11-7-10-27(34-28)36-42(3,4)41)33-23-12-13-25(21(2)19-23)22-14-17-37(18-15-22)24-8-6-9-24/h5,7,10-13,19-20,22,24H,1,6,8-9,14-18H2,2-4H3,(H,32,33,35)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462344 (US10766902, Example 58) Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N(C)C)ncc2c1=O Show InChI InChI=1S/C23H28N8O2S/c1-15(2)30-22(32)18-14-24-23(25-16-10-12-17(13-11-16)29(3)4)27-21(18)31(30)20-9-7-8-19(26-20)28-34(5,6)33/h7-15H,1-6H3,(H,24,25,27)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462313 (US10766902, Example 26) Show SMILES Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCNCC1 Show InChI InChI=1S/C26H31N9O2S/c1-5-13-34-25(36)20-17-28-26(29-19-9-10-21(18(2)16-19)33-14-11-27-12-15-33)31-24(20)35(34)23-8-6-7-22(30-23)32-38(3,4)37/h5-10,16-17,27H,1,11-15H2,2-4H3,(H,28,29,31)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462380 (US10766902, Example 93) Show SMILES CS(C)(=O)=Nc1cncc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)nc12 |w:33.37| Show InChI InChI=1S/C25H27F3N10O2S/c1-4-10-37-23(39)18-12-31-24(34-22(18)38(37)21-14-29-13-20(33-21)35-41(2,3)40)32-16-5-7-17(8-6-16)36-11-9-30-19(15-36)25(26,27)28/h4-8,12-14,19,30H,1,9-11,15H2,2-3H3,(H,31,32,34)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462383 (US10766902, Example 96) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cnn(c3)C3CCCCC3)nc12 Show InChI InChI=1S/C24H29N9O2S/c1-4-13-32-23(34)19-15-25-24(27-17-14-26-31(16-17)18-9-6-5-7-10-18)29-22(19)33(32)21-12-8-11-20(28-21)30-36(2,3)35/h4,8,11-12,14-16,18H,1,5-7,9-10,13H2,2-3H3,(H,25,27,29)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462336 (US10766902, Example 50) Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCN(CC(F)(F)F)CC3)ncc2c1=O Show InChI InChI=1S/C27H32F3N9O2S/c1-18(2)38-25(40)21-16-31-26(34-24(21)39(38)23-7-5-6-22(33-23)35-42(3,4)41)32-19-8-10-20(11-9-19)37-14-12-36(13-15-37)17-27(28,29)30/h5-11,16,18H,12-15,17H2,1-4H3,(H,31,32,34)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462369 (US10766902, Example 82) Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1F Show InChI InChI=1S/C22H22FN7O3S/c1-5-11-29-21(31)15-13-24-22(25-14-9-10-16(23)17(12-14)33-2)27-20(15)30(29)19-8-6-7-18(26-19)28-34(3,4)32/h5-10,12-13H,1,11H2,2-4H3,(H,24,25,27)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462370 (US10766902, Example 83) Show SMILES CN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1C(O)C(F)(F)F |w:34.38| Show InChI InChI=1S/C25H27F3N8O3S/c1-6-12-35-23(38)17-14-29-24(30-15-10-11-18(34(2)3)16(13-15)21(37)25(26,27)28)32-22(17)36(35)20-9-7-8-19(31-20)33-40(4,5)39/h6-11,13-14,21,37H,1,12H2,2-5H3,(H,29,30,32)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462330 (US10766902, Example 43) Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2c1=O Show InChI InChI=1S/C25H30N8O3S/c1-17(2)32-24(34)20-16-26-25(27-18-8-10-19(11-9-18)31-12-14-36-15-13-31)29-23(20)33(32)22-7-5-6-21(28-22)30-37(3,4)35/h5-11,16-17H,12-15H2,1-4H3,(H,26,27,29)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462373 (US10766902, Example 86) Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCNC(C1)C(F)(F)F |w:37.43| Show InChI InChI=1S/C27H30F3N9O3S/c1-5-12-38-25(40)18-15-32-26(35-24(18)39(38)23-8-6-7-22(34-23)36-43(3,4)41)33-17-9-10-19(20(14-17)42-2)37-13-11-31-21(16-37)27(28,29)30/h5-10,14-15,21,31H,1,11-13,16H2,2-4H3,(H,32,33,35)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5279054 Show SMILES Nc1nc(NCCCOc2ccc(O)cc2)c(N=O)c(=O)[nH]1 Show InChI InChI=1S/C13H15N5O4/c14-13-16-11(10(18-21)12(20)17-13)15-6-1-7-22-9-4-2-8(19)3-5-9/h2-5,19H,1,6-7H2,(H4,14,15,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462374 (US10766902, Example 87) Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCN(C)C(C1)C(F)(F)F |w:38.44| Show InChI InChI=1S/C28H32F3N9O3S/c1-6-12-39-26(41)19-16-32-27(35-25(19)40(39)24-9-7-8-23(34-24)36-44(4,5)42)33-18-10-11-20(21(15-18)43-3)38-14-13-37(2)22(17-38)28(29,30)31/h6-11,15-16,22H,1,12-14,17H2,2-5H3,(H,32,33,35)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462352 (US10766902, Example 66) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)c(F)c3)nc12 Show InChI InChI=1S/C21H19F2N7O2S/c1-4-10-29-20(31)14-12-24-21(25-13-8-9-15(22)16(23)11-13)27-19(14)30(29)18-7-5-6-17(26-18)28-33(2,3)32/h4-9,11-12H,1,10H2,2-3H3,(H,24,25,27)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462339 (US10766902, Example 53) Show SMILES COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(C(C)C)c3=O)cc1 |r| Show InChI InChI=1S/C27H34N8O4S/c1-18(2)34-26(36)22-15-28-27(31-25(22)35(34)24-8-6-7-23(30-24)32-40(4,5)37)29-19-9-11-20(12-10-19)33-13-14-39-21(16-33)17-38-3/h6-12,15,18,21H,13-14,16-17H2,1-5H3,(H,28,29,31)/t21-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462332 (US10766902, Example 45) Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(cc3)N3CCNC(C3)C(F)(F)F)ncc2c1=O |w:30.34| Show InChI InChI=1S/C26H30F3N9O2S/c1-16(2)37-24(39)19-14-31-25(34-23(19)38(37)22-7-5-6-21(33-22)35-41(3,4)40)32-17-8-10-18(11-9-17)36-13-12-30-20(15-36)26(27,28)29/h5-11,14,16,20,30H,12-13,15H2,1-4H3,(H,31,32,34)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462319 (US10766902, Example 32) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r| Show InChI InChI=1S/C27H32N8O3S/c1-6-14-34-26(36)22-15-28-27(29-20-10-12-21(13-11-20)33-16-18(2)38-19(3)17-33)31-25(22)35(34)24-9-7-8-23(30-24)32-39(4,5)37/h6-13,15,18-19H,1,14,16-17H2,2-5H3,(H,28,29,31)/t18-,19+	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462317 (US10766902, Example 30) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(c2)N=S(C)(C)=O)n(CC=C)c3=O)cc1CO Show InChI InChI=1S/C28H34N8O3S/c1-5-11-35-27(38)24-18-29-28(31-26(24)36(35)23-8-6-7-22(17-23)32-40(3,4)39)30-21-9-10-25(20(16-21)19-37)34-14-12-33(2)13-15-34/h5-10,16-18,37H,1,11-15,19H2,2-4H3,(H,29,30,31)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462299 (US10766902, Example 12) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C25H28N8O3S/c1-4-12-32-24(34)20-17-26-25(27-18-8-10-19(11-9-18)31-13-15-36-16-14-31)29-23(20)33(32)22-7-5-6-21(28-22)30-37(2,3)35/h4-11,17H,1,12-16H2,2-3H3,(H,26,27,29)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5282382 Show SMILES COc1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1 Show InChI InChI=1S/C14H17N5O4/c1-22-9-3-5-10(6-4-9)23-8-2-7-16-12-11(19-21)13(20)18-14(15)17-12/h3-6H,2,7-8H2,1H3,(H4,15,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5269524 Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(cc1)-[#6](=O)-[#8]-c1cccc(c1)C#N Show InChI InChI=1S/C15H12N4O2/c16-9-10-2-1-3-13(8-10)21-14(20)11-4-6-12(7-5-11)19-15(17)18/h1-8H,(H4,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50240826 (AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5284989 Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(OCCCNc2nc(N)[nH]c(=O)c2N=O)cc1 Show InChI InChI=1S/C20H22N6O5S/c1-13-3-9-16(10-4-13)32(29,30)26-14-5-7-15(8-6-14)31-12-2-11-22-18-17(25-28)19(27)24-20(21)23-18/h3-10,26H,2,11-12H2,1H3,(H4,21,22,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem		n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462363 (US10766902, Example 76) Show SMILES COC[C@@H]1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 |r| Show InChI InChI=1S/C27H33N9O3S/c1-5-14-35-26(37)22-16-29-27(32-25(22)36(35)24-8-6-7-23(31-24)33-40(3,4)38)30-19-9-11-21(12-10-19)34-15-13-28-20(17-34)18-39-2/h5-12,16,20,28H,1,13-15,17-18H2,2-4H3,(H,29,30,32)/t20-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5281278 Show SMILES Nc1nc(NCCCOc2ccc(cc2)C(F)(F)F)c(N=O)c(=O)[nH]1 Show InChI InChI=1S/C14H14F3N5O3/c15-14(16,17)8-2-4-9(5-3-8)25-7-1-6-19-11-10(22-24)12(23)21-13(18)20-11/h2-5H,1,6-7H2,(H4,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462347 (US10766902, Example 61) Show SMILES CC(C)n1n(-c2cccc(N=S(C)(C)=O)n2)c2nc(Nc3ccc(Cl)cc3)ncc2c1=O Show InChI InChI=1S/C21H22ClN7O2S/c1-13(2)28-20(30)16-12-23-21(24-15-10-8-14(22)9-11-15)26-19(16)29(28)18-7-5-6-17(25-18)27-32(3,4)31/h5-13H,1-4H3,(H,23,24,26)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462337 (US10766902, Example 51) Show SMILES CS(C)(=O)=Nc1cncc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCOCC3)nc12 Show InChI InChI=1S/C24H27N9O3S/c1-4-9-32-23(34)19-14-26-24(27-17-5-7-18(8-6-17)31-10-12-36-13-11-31)29-22(19)33(32)21-16-25-15-20(28-21)30-37(2,3)35/h4-8,14-16H,1,9-13H2,2-3H3,(H,26,27,29)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462372 (US10766902, Example 85) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cnn(CC(F)(F)F)c3)nc12 Show InChI InChI=1S/C20H20F3N9O2S/c1-4-8-31-18(33)14-10-24-19(26-13-9-25-30(11-13)12-20(21,22)23)28-17(14)32(31)16-7-5-6-15(27-16)29-35(2,3)34/h4-7,9-11H,1,8,12H2,2-3H3,(H,24,26,28)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462322 (US10766902, Example 35) Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3cccc(c3)N3CCOCC3)nc12 Show InChI InChI=1S/C25H28N8O3S/c1-4-11-32-24(34)20-17-26-25(27-18-7-5-8-19(16-18)31-12-14-36-15-13-31)29-23(20)33(32)22-10-6-9-21(28-22)30-37(2,3)35/h4-10,16-17H,1,11-15H2,2-3H3,(H,26,27,29)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549213 (US11299493, Compound 1.131 | US11299493, S-33) Show SMILES CCn1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM549228 (US11299493, Compound 1.144 | US11299493, S-47) Show SMILES CC(C)n1n(-c2cccc(n2)C(C)(C)C)c2nc(Nc3ccc4CCNCc4c3)ncc2c1=O 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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1×...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G37
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462312 (US10766902, Example 25) Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCOCC1 Show InChI InChI=1S/C26H30N8O4S/c1-5-11-33-25(35)19-17-27-26(28-18-9-10-20(21(16-18)37-2)32-12-14-38-15-13-32)30-24(19)34(33)23-8-6-7-22(29-23)31-39(3,4)36/h5-10,16-17H,1,11-15H2,2-4H3,(H,27,28,30)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462292 (US10766902, Example 7) Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C28H35N9O2S/c1-6-14-36-27(38)23-19-29-28(32-26(23)37(36)25-9-7-8-24(31-25)33-40(4,5)39)30-21-10-12-22(13-11-21)35-17-15-34(16-18-35)20(2)3/h6-13,19-20H,1,14-18H2,2-5H3,(H,29,30,32)	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
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462315 (US10766902, Example 28) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1C Show InChI InChI=1S/C27H33N9O2S/c1-6-12-35-26(37)21-18-28-27(29-20-10-11-22(19(2)17-20)34-15-13-33(3)14-16-34)31-25(21)36(35)24-9-7-8-23(30-24)32-39(4,5)38/h6-11,17-18H,1,12-16H2,2-5H3,(H,28,29,31)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	CHEMBL5290439 Show SMILES [#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1 Show InChI InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7-5-11)18-15(16)17/h2-9H,1H3,(H4,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Citation and Details
					More data for this Ligand-Target Pair

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