Compile Data Set for Download or QSAR

Found 1686 hits with Last Name = 'lim' and Initial = 'sm'   

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
GTPase KRas (Homo sapiens (Human))	BDBM50501345 (CHEMBL3958857) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21ClN6O12P2/c15-3-7(22)17-1-2-30-34(26,27)33-35(28,29)31-4-6-9(23)10(24)13(32-6)21-5-18-8-11(21)19-14(16)20-12(8)25/h5-6,9-10,13,23-24H,1-4H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501343 (CHEMBL3922435) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)C=C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O12P2/c1-2-8(22)17-3-4-30-34(26,27)33-35(28,29)31-5-7-10(23)11(24)14(32-7)21-6-18-9-12(21)19-15(16)20-13(9)25/h2,6-7,10-11,14,23-24H,1,3-5H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501342 (CHEMBL3904433) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25ClN6O11P2/c17-4-9(24)19-2-1-3-32-35(28,29)7-36(30,31)33-5-8-11(25)12(26)15(34-8)23-6-20-10-13(23)21-16(18)22-14(10)27/h6,8,11-12,15,25-26H,1-5,7H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t8-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	374	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501347 (CHEMBL3935647) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21ClF2N6O11P2/c16-3-7(25)20-1-2-33-36(29,30)15(17,18)37(31,32)34-4-6-9(26)10(27)13(35-6)24-5-21-8-11(24)22-14(19)23-12(8)28/h5-6,9-10,13,26-27H,1-4H2,(H,20,25)(H,29,30)(H,31,32)(H3,19,22,23,28)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501344 (CHEMBL3932440) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23ClF2N6O11P2/c17-4-8(26)21-2-1-3-34-37(30,31)16(18,19)38(32,33)35-5-7-10(27)11(28)14(36-7)25-6-22-9-12(25)23-15(20)24-13(9)29/h6-7,10-11,14,27-28H,1-5H2,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501341 (CHEMBL3897666) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25ClN6O11P2/c18-3-10(25)23-2-1-8(4-23)35-37(31,32)7-36(29,30)33-5-9-12(26)13(27)16(34-9)24-6-20-11-14(24)21-17(19)22-15(11)28/h6,8-9,12-13,16,26-27H,1-5,7H2,(H,29,30)(H,31,32)(H3,19,21,22,28)/t8?,9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445969 (US10669246, Example 22 | US10968188, Example 22) Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445962 (US10669246, Example 14 | US10968188, Example 14) Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501332 (CHEMBL3982443) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501335 (CHEMBL3940601) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-32-34(29,30)5-9(25)31-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501339 (CHEMBL3961855) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN6O11P2/c16-3-8(23)18-1-2-31-34(27,28)6-35(29,30)32-4-7-10(24)11(25)14(33-7)22-5-19-9-12(22)20-15(17)21-13(9)26/h5,7,10-11,14,24-25H,1-4,6H2,(H,18,23)(H,27,28)(H,29,30)(H3,17,20,21,26)/t7-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445956 (US10669246, Example 8 | US10968188, Example 8) Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501350 (CHEMBL3974440) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)24-3-1-2-9(5-24)36-38(32,33)8-37(30,31)34-6-10-13(27)14(28)17(35-10)25-7-21-12-15(25)22-18(20)23-16(12)29/h7,9-10,13-14,17,27-28H,1-6,8H2,(H,30,31)(H,32,33)(H3,20,22,23,29)/t9?,10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445951 (US10669246, Example 3 | US10968188, Example 3) Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C19H17FN2OS/c1-10-4-3-5-11(2)17(10)12-6-7-15-16(8-12)24-19(21-15)22-18(23)13-9-14(13)20/h3-8,13-14H,9H2,1-2H3,(H,21,22,23)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445950 (US10669246, Example 2 | US10968188, Example 2) Show SMILES Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H14ClFN2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501334 (CHEMBL3953729) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20ClN7O10S/c16-3-7(24)18-1-2-31-15(28)22-34(29,30)32-4-6-9(25)10(26)13(33-6)23-5-19-8-11(23)20-14(17)21-12(8)27/h5-6,9-10,13,25-26H,1-4H2,(H,18,24)(H,22,28)(H3,17,20,21,27)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501333 (CHEMBL3968831) Show SMILES CC(C)(CNC(=O)CCl)COP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H29ClN6O11P2/c1-18(2,5-21-10(26)3-19)6-35-38(32,33)8-37(30,31)34-4-9-12(27)13(28)16(36-9)25-7-22-11-14(25)23-17(20)24-15(11)29/h7,9,12-13,16,27-28H,3-6,8H2,1-2H3,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t9-,12-,13-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501337 (CHEMBL3941415) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22ClFN6O11P2/c16-3-7(24)19-1-2-32-35(28,29)14(17)36(30,31)33-4-6-9(25)10(26)13(34-6)23-5-20-8-11(23)21-15(18)22-12(8)27/h5-6,9-10,13-14,25-26H,1-4H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t6-,9-,10-,13-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445949 (US10669246, Example 1 | US10968188, Example 1) Show SMILES Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H14F2N2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501338 (CHEMBL3911460) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN7O9S/c17-3-8(25)19-1-2-21-34(30,31)5-9(26)32-4-7-11(27)12(28)15(33-7)24-6-20-10-13(24)22-16(18)23-14(10)29/h6-7,11-12,15,21,27-28H,1-5H2,(H,19,25)(H3,18,22,23,29)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445971 (US10669246, Example 24 | US10968188, Example 24) Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445983 (US10669246, Example 36 | US10968188, Example 36) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1 Show InChI InChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445964 (US10669246, Example 17 | US10968188, Example 17) Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM490086 (US10968188, Example 12) Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12?,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM445952 (US10669246, Example 4 | US10968188, Example 4) Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H14FN3OS/c1-9-4-5-19-8-12(9)10-2-3-14-15(6-10)23-17(20-14)21-16(22)11-7-13(11)18/h2-6,8,11,13H,7H2,1H3,(H,20,21,22)/t11-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501348 (CHEMBL3913450) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-31-9(25)5-34(29,30)32-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501340 (CHEMBL3936077) Show SMILES COC(=O)\C=C\CCCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H27N5O12P2/c1-32-11(24)5-3-2-4-6-33-36(28,29)9-37(30,31)34-7-10-13(25)14(26)17(35-10)23-8-20-12-15(23)21-18(19)22-16(12)27/h3,5,8,10,13-14,17,25-26H,2,4,6-7,9H2,1H3,(H,28,29)(H,30,31)(H3,19,21,22,27)/b5-3+/t10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501349 (CHEMBL3981450) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNc2c(NCCCNC(=O)CCl)c(=O)c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23ClN8O7/c20-4-8(29)22-2-1-3-23-9-10(14(32)13(9)31)24-5-7-12(30)15(33)18(35-7)28-6-25-11-16(28)26-19(21)27-17(11)34/h6-7,12,15,18,23-24,30,33H,1-5H2,(H,22,29)(H3,21,26,27,34)/t7-,12-,15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501336 (CHEMBL3965944) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9-,10-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50501346 (CHEMBL3945018) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9+,10+,13+,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445969 (US10669246, Example 22 | US10968188, Example 22) Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1	PDB MMDB 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
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445969 (US10669246, Example 22 | US10968188, Example 22) Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1	PDB MMDB 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
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446046 (US10669246, Example 97 | US10968188, Example 97) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1cc[nH]n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445962 (US10669246, Example 14 | US10968188, Example 14) Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446026 (US10669246, Example 77 | US10968188, Example 77) Show SMILES Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446039 (US10669246, Example 90 | US10968188, Example 90) Show SMILES O=C(Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1)C1CC1 Show InChI InChI=1S/C18H14N4OS/c23-17(10-1-2-10)22-18-21-14-4-3-11(8-15(14)24-18)13-7-12-5-6-19-16(12)20-9-13/h3-10H,1-2H2,(H,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445962 (US10669246, Example 14 | US10968188, Example 14) Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446047 (US10669246, Example 98 | US10968188, Example 98) Show SMILES Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C20H16FN3O2S/c1-9-2-4-14-12(8-17(25)22-14)18(9)10-3-5-15-16(6-10)27-20(23-15)24-19(26)11-7-13(11)21/h2-6,11,13H,7-8H2,1H3,(H,22,25)(H,23,24,26)/t11-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445971 (US10669246, Example 24 | US10968188, Example 24) Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445971 (US10669246, Example 24 | US10968188, Example 24) Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446049 (US10669246, Example 100 | US10968188, Example 100) Show SMILES Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C19H16N4OS/c1-10-8-20-17-14(10)6-13(9-21-17)12-4-5-15-16(7-12)25-19(22-15)23-18(24)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,21)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445996 (US10669246, Example 47 | US10968188, Example 47) Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1 Show InChI InChI=1S/C17H14FN3OS/c1-9-12(7-19-8-13(9)18)11-4-5-14-15(6-11)23-17(20-14)21-16(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445956 (US10669246, Example 8 | US10968188, Example 8) Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445956 (US10669246, Example 8 | US10968188, Example 8) Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446060 (US10669246, Example 111 | US10968188, Example 111) Show SMILES Cc1ccc2ncsc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C19H14FN3OS2/c1-9-2-4-14-17(25-8-21-14)16(9)10-3-5-13-15(6-10)26-19(22-13)23-18(24)11-7-12(11)20/h2-6,8,11-12H,7H2,1H3,(H,22,23,24)/t11-,12+/m1/s1	PDB MMDB 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	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446050 (US10669246, Example 101 | US10968188, Example 101) Show SMILES F[C@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446034 (US10669246, Example 85 | US10968188, Example 85) Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#C |r| Show InChI InChI=1S/C20H15FN2OS/c1-3-12-5-4-11(2)14(8-12)13-6-7-17-18(9-13)25-20(22-17)23-19(24)15-10-16(15)21/h1,4-9,15-16H,10H2,2H3,(H,22,23,24)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM446057 (US10669246, Example 108 | US10968188, Example 108) Show SMILES Cc1c(ccc2cn[nH]c12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM445970 (US10669246, Example 23 | US10968188, Example 23) Show SMILES Cc1cc(N)nc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r| Show InChI InChI=1S/C18H17FN4OS/c1-8-5-15(20)21-9(2)16(8)10-3-4-13-14(6-10)25-18(22-13)23-17(24)11-7-12(11)19/h3-6,11-12H,7H2,1-2H3,(H2,20,21)(H,22,23,24)/t11-,12+/m1/s1	PDB MMDB 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	n/a	n/a
1st Biotherapeutics, Inc. US Patent					Assay Description c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...				US Patent US10968188 (2021) BindingDB Entry DOI: 10.7270/Q2J969GZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]imipramine from SERT receptor (unknown origin) by cell based radioligand competitive binding analysis				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126882 BindingDB Entry DOI: 10.7270/Q25Q50MC
					More data for this Ligand-Target Pair

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