Compile Data Set for Download or QSAR

Found 782 hits with Last Name = 'fortanet' and Initial = 'jg'   

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
SH2B adapter protein 2 (Human)	BDBM484440 (US10934285, Example 24) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H33ClN8O3S/c29-22-16(33-24(38)21-25(39)35-19-8-1-2-12-37(19)27(21)40)5-3-6-17(22)41-26-23(31)34-20(15-32-26)36-13-10-28(11-14-36)9-4-7-18(28)30/h3,5-6,15,18,39H,1-2,4,7-14,30H2,(H2,31,34)(H,33,38)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484457 (US10934285, Example 43) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C27H32ClN9O3S/c28-20-15(31-22(38)19-23(39)32-18-8-1-2-12-37(18)25(19)40)5-3-6-16(20)41-24-21(30)33-26(35-34-24)36-13-10-27(11-14-36)9-4-7-17(27)29/h3,5-6,17,39H,1-2,4,7-14,29H2,(H,31,38)(H2,30,33,35)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484469 (US10934285, Example 55) Show SMILES CCC1N(C)C(=O)C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)=C1O |c:36| Show InChI InChI=1S/C24H30ClN7O3S/c1-4-14-19(33)17(23(35)31(14)3)21(34)29-13-6-5-7-15(18(13)25)36-22-20(26)30-16(12-28-22)32-10-8-24(2,27)9-11-32/h5-7,12,14,33H,4,8-11,27H2,1-3H3,(H2,26,30)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484472 (US10934285, Example 59) Show SMILES CN1C(=O)C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)=C(O)C1(C)C |t:33| Show InChI InChI=1S/C24H30ClN7O3S/c1-23(2)18(33)16(22(35)31(23)4)20(34)29-13-6-5-7-14(17(13)25)36-21-19(26)30-15(12-28-21)32-10-8-24(3,27)9-11-32/h5-7,12,33H,8-11,27H2,1-4H3,(H2,26,30)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484421 (US10934285, Example 5) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4cnccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H26ClN9O3S/c1-25(13-27)5-8-34(9-6-25)16-12-30-23(20(28)32-16)39-15-4-2-3-14(19(15)26)31-21(36)18-22(37)33-17-11-29-7-10-35(17)24(18)38/h2-4,7,10-12,37H,5-6,8-9,13,27H2,1H3,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408072 (US10336774, Example 57) Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H22Cl2N6OS/c19-14-11(1-4-23-15(14)20)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)21/h1,4,9-10,12,27H,2-3,5-8,21H2,(H2,22,25)/t10-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484466 (US10934285, Example 52) Show SMILES CC1(N)CCN(CC1)c1nnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:22| Show InChI InChI=1S/C26H27ClN8O3S/c1-26(29)10-12-34(13-11-26)25-31-21(28)23(32-33-25)39-18-9-5-8-16(20(18)27)30-22(37)19-17(36)14-35(24(19)38)15-6-3-2-4-7-15/h2-9,36H,10-14,29H2,1H3,(H,30,37)(H2,28,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484461 (US10934285, Example 47) Show SMILES CC1(N)CCN(CC1)c1nc2ccc(Sc3cccc(NC(=O)C4=C(O)CN(C4=O)c4ccccc4)c3Cl)nc2[nH]1 |c:24| Show InChI InChI=1S/C29H28ClN7O3S/c1-29(31)12-14-36(15-13-29)28-33-19-10-11-22(34-25(19)35-28)41-21-9-5-8-18(24(21)30)32-26(39)23-20(38)16-37(27(23)40)17-6-3-2-4-7-17/h2-11,38H,12-16,31H2,1H3,(H,32,39)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408094 (US10336774, Example 88) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C18H23Cl2N7OS/c1-9-14(22)18(8-28-9)2-4-27(5-3-18)12-7-24-17(16(23)26-12)29-10-6-11(21)25-15(20)13(10)19/h6-7,9,14H,2-5,8,22H2,1H3,(H2,21,25)(H2,23,26)/t9-,14+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408096 (US10336774, Example 90) Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23Cl2N7OS/c19-14-10(6-12(22)25-15(14)20)29-17-16(23)26-13(8-24-17)27-3-1-18(2-4-27)7-9(28)5-11(18)21/h6,8-9,11,28H,1-5,7,21H2,(H2,22,25)(H2,23,26)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408075 (US10336774, Example 60) Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C19H24Cl2N6OS/c1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t11-,13+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408073 (US10336774, Example 58) Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H22Cl2N6OS/c19-14-11(1-4-23-15(14)20)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)21/h1,4,9-10,12,27H,2-3,5-8,21H2,(H2,22,25)/t10-,12+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484467 (US10934285, Example 53) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:22| Show InChI InChI=1S/C27H28ClN7O3S/c1-27(30)10-12-34(13-11-27)20-14-31-25(23(29)33-20)39-19-9-5-8-17(22(19)28)32-24(37)21-18(36)15-35(26(21)38)16-6-3-2-4-7-16/h2-9,14,36H,10-13,15,30H2,1H3,(H2,29,33)(H,32,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484429 (US10934285, Example 13) Show SMILES Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl)N1CCC(N)(CF)CC1 Show InChI InChI=1S/C25H24ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(28)32-17(12-30-23)34-10-7-25(29,13-27)8-11-34/h1-6,9,12,37H,7-8,10-11,13,29H2,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484422 (US10934285, Example 6) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4[nH]ccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C24H26ClN9O3S/c1-24(12-26)5-8-33(9-6-24)15-11-29-21(18(27)31-15)38-14-4-2-3-13(17(14)25)30-19(35)16-20(36)32-23-28-7-10-34(23)22(16)37/h2-4,7,10-11,36H,5-6,8-9,12,26H2,1H3,(H2,27,31)(H,28,32)(H,30,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408086 (US10336774, Example 77) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H22ClFN6S/c19-14-11(3-7-23-15(14)20)27-17-16(22)25-13(10-24-17)26-8-5-18(6-9-26)4-1-2-12(18)21/h3,7,10,12H,1-2,4-6,8-9,21H2,(H2,22,25)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484439 (US10934285, Example 23) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H29ClN8O3S/c29-22-16(33-24(38)21-25(39)35-19-8-1-2-12-37(19)27(21)40)5-3-6-17(22)41-26-23(31)34-20(15-32-26)36-13-10-28(11-14-36)9-4-7-18(28)30/h1-3,5-6,8,12,15,18,39H,4,7,9-11,13-14,30H2,(H2,31,34)(H,33,38)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484430 (US10934285, Example 14) Show SMILES Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3CCCCn3c2=O)c1Cl)N1CCC(N)(CF)CC1 Show InChI InChI=1S/C25H28ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(28)32-17(12-30-23)34-10-7-25(29,13-27)8-11-34/h3-5,12,37H,1-2,6-11,13,29H2,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484423 (US10934285, Example 7) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C26H31ClN8O3S/c1-26(14-28)8-11-34(12-9-26)18-13-30-24(21(29)32-18)39-16-6-4-5-15(20(16)27)31-22(36)19-23(37)33-17-7-2-3-10-35(17)25(19)38/h4-6,13,37H,2-3,7-12,14,28H2,1H3,(H2,29,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484419 (US10934285, Example 3) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4sccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C24H25ClN8O3S2/c1-24(12-26)5-7-32(8-6-24)15-11-28-21(18(27)30-15)38-14-4-2-3-13(17(14)25)29-19(34)16-20(35)31-23-33(22(16)36)9-10-37-23/h2-4,9-11,35H,5-8,12,26H2,1H3,(H2,27,30)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408058 (US10336774, Example 43) Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484426 (US10934285, Example 10) Show SMILES NCC1(O)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H25ClN8O4S/c26-19-14(30-21(35)18-22(36)32-16-6-1-2-9-34(16)24(18)37)4-3-5-15(19)39-23-20(28)31-17(12-29-23)33-10-7-25(38,13-27)8-11-33/h1-6,9,12,36,38H,7-8,10-11,13,27H2,(H2,28,31)(H,30,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484451 (US10934285, Example 37) Show SMILES CC1(CN)CCN(CC1)c1nnc(Sc2cccc(NC(=O)C3=C(O)NC4CCCCN4C3=O)c2Cl)c(N)n1 |c:23| Show InChI InChI=1S/C25H32ClN9O3S/c1-25(13-27)8-11-34(12-9-25)24-31-19(28)22(32-33-24)39-15-6-4-5-14(18(15)26)29-20(36)17-21(37)30-16-7-2-3-10-35(16)23(17)38/h4-6,16,30,37H,2-3,7-13,27H2,1H3,(H,29,36)(H2,28,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484470 (US10934285, Example 56) Show SMILES CNC1(C)CCN(CC1)c1cnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:23| Show InChI InChI=1S/C28H30ClN7O3S/c1-28(31-2)11-13-35(14-12-28)21-15-32-26(24(30)34-21)40-20-10-6-9-18(23(20)29)33-25(38)22-19(37)16-36(27(22)39)17-7-4-3-5-8-17/h3-10,15,31,37H,11-14,16H2,1-2H3,(H2,30,34)(H,33,38)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484418 (US10934285, Example 2) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C26H27ClN8O3S/c1-26(14-28)8-11-34(12-9-26)18-13-30-24(21(29)32-18)39-16-6-4-5-15(20(16)27)31-22(36)19-23(37)33-17-7-2-3-10-35(17)25(19)38/h2-7,10,13,37H,8-9,11-12,14,28H2,1H3,(H2,29,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484425 (US10934285, Example 9) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CNCCn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H30ClN9O3S/c1-25(13-27)5-8-34(9-6-25)16-12-30-23(20(28)32-16)39-15-4-2-3-14(19(15)26)31-21(36)18-22(37)33-17-11-29-7-10-35(17)24(18)38/h2-4,12,29,37H,5-11,13,27H2,1H3,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484459 (US10934285, Example 45) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)cn1 Show InChI InChI=1S/C26H30ClN7O3S/c1-26(15-28)8-11-33(12-9-26)19-13-30-20(14-29-19)38-17-6-4-5-16(22(17)27)31-23(35)21-24(36)32-18-7-2-3-10-34(18)25(21)37/h4-6,13-14,36H,2-3,7-12,15,28H2,1H3,(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408078 (US10336774, Example 63) Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C17H20Cl2N6OS/c18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408057 (US10336774, Example 42) Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408067 (US10336774, Example 52) Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C17H22ClN7OS/c18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19/h1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408076 (US10336774, Example 61) Show SMILES C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C20H25F3N6S/c1-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)30-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484468 (US10934285, Example 54) Show SMILES CN1C(Cc2ccccc2)C(O)=C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)C1=O |t:12| Show InChI InChI=1S/C29H32ClN7O3S/c1-29(32)11-13-37(14-12-29)21-16-33-27(25(31)35-21)41-20-10-6-9-18(23(20)30)34-26(39)22-24(38)19(36(2)28(22)40)15-17-7-4-3-5-8-17/h3-10,16,19,38H,11-15,32H2,1-2H3,(H2,31,35)(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM492386 (US10975080, Example 83) Show SMILES Cn1c(nc2[nH]nc(Sc3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6OS/c1-19(10-22)6-8-27(9-7-19)18-23-15-13(17(28)26(18)2)16(25-24-15)29-12-5-3-4-11(20)14(12)21/h3-5H,6-10,22H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021) BindingDB Entry DOI: 10.7270/Q2TM7F60
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530255 (CHEMBL4452417 | US10975080, Example 70) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25N7O2/c1-12-16(21)20(11-29-12)5-9-27(10-6-20)19-23-17-14(18(28)26(19)2)15(24-25-17)13-3-7-22-8-4-13/h3-4,7-8,12,16H,5-6,9-11,21H2,1-2H3,(H,24,25)/t12-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021) BindingDB Entry DOI: 10.7270/Q2TM7F60
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM396004 (US10308660, Example 105) Show SMILES COc1nccc(Sc2cnc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1Cl |r| Show InChI InChI=1S/C20H26ClN5O3S/c1-12-16(22)20(11-29-12)5-8-26(9-6-20)19-24-10-14(18(27)25(19)2)30-13-4-7-23-17(28-3)15(13)21/h4,7,10,12,16H,5-6,8-9,11,22H2,1-3H3/t12-,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	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				Bioorg Med Chem Lett 19: 3445-8 (2009) BindingDB Entry DOI: 10.7270/Q27S7R48
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484432 (US10934285, Example 16) Show SMILES NCC1(F)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H28ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(29)32-17(12-30-23)34-10-7-25(27,13-28)8-11-34/h3-5,12,37H,1-2,6-11,13,28H2,(H2,29,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484446 (US10934285, Example 32) Show SMILES CC1(CN)CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4sccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C23H24ClN9O3S2/c1-23(11-25)5-7-32(8-6-23)21-28-16(26)19(30-31-21)38-13-4-2-3-12(15(13)24)27-17(34)14-18(35)29-22-33(20(14)36)9-10-37-22/h2-4,9-10,35H,5-8,11,25H2,1H3,(H,27,34)(H2,26,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408097 (US10336774, Example 91) Show SMILES N[C@@H]1C[C@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23ClFN7S/c19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM492338 (US10975080, Example 36) Show SMILES C[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1nc2[nH]nc(-c3ccncc3)c2c(=O)n1C |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	9	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021) BindingDB Entry DOI: 10.7270/Q2TM7F60
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM492351 (US10975080, Example 49) Show SMILES Cc1nc(N)ccc1-c1n[nH]c2nc(N3CCC4(CC(F)(F)C[C@H]4N)CC3)n(C)c(=O)c12 |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	9	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10975080 (2021) BindingDB Entry DOI: 10.7270/Q2TM7F60
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395996 (US10308660, Example 97) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c(=O)[nH]2)[C@@H]1N |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	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				Bioorg Med Chem Lett 19: 3445-8 (2009) BindingDB Entry DOI: 10.7270/Q27S7R48
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408063 (US10336774, Example 48) Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408071 (US10336774, Example 56) Show SMILES C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C19H26ClN7S/c1-11-2-4-19(15(11)21)5-8-27(9-6-19)13-10-25-18(17(23)26-13)28-12-3-7-24-16(22)14(12)20/h3,7,10-11,15H,2,4-6,8-9,21H2,1H3,(H2,22,24)(H2,23,26)/t11-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408093 (US10336774, Example 87) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23Cl2N7S/c19-14-10(8-12(22)25-15(14)20)28-17-16(23)26-13(9-24-17)27-6-4-18(5-7-27)3-1-2-11(18)21/h8-9,11H,1-7,21H2,(H2,22,25)(H2,23,26)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408091 (US10336774, Example 86a) Show SMILES C[C@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)/t12-,15+/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408092 (US10336774, Example 86b) Show SMILES C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C20H25F3N6S/c1-12-4-5-19(15(12)24)6-9-29(10-7-19)14-11-27-18(17(25)28-14)30-13-3-2-8-26-16(13)20(21,22)23/h2-3,8,11-12,15H,4-7,9-10,24H2,1H3,(H2,25,28)/t12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408098 (US10336774, Example 92) Show SMILES N[C@@H]1C[C@@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23ClFN7S/c19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484431 (US10934285, Example 15) Show SMILES NCC1(F)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H24ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(29)32-17(12-30-23)34-10-7-25(27,13-28)8-11-34/h1-6,9,12,37H,7-8,10-11,13,28H2,(H2,29,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484438 (US10934285, Example 22) Show SMILES N[C@@H]1C(F)(F)CCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H27ClF2N8O3S/c29-20-15(35-22(40)19-23(41)37-17-6-1-2-11-39(17)25(19)42)4-3-5-16(20)43-24-21(32)36-18(14-34-24)38-12-9-27(10-13-38)7-8-28(30,31)26(27)33/h1-6,11,14,26,41H,7-10,12-13,33H2,(H2,32,36)(H,35,40)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484447 (US10934285, Example 33) Show SMILES CC1(CN)CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H26ClN9O3S/c1-25(13-27)8-11-34(12-9-25)24-31-19(28)22(32-33-24)39-15-6-4-5-14(18(15)26)29-20(36)17-21(37)30-16-7-2-3-10-35(16)23(17)38/h2-7,10,37H,8-9,11-13,27H2,1H3,(H,29,36)(H2,28,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair

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