Compile Data Set for Download or QSAR

Found 2629 hits with Last Name = 'lescarbeau' and Initial = 'a'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50192880 (CHEMBL3984425 | US10329299, Compound 21 | US106752...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma in C5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by...				ACS Med Chem Lett 7: 862-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00238 BindingDB Entry DOI: 10.7270/Q2N018HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50293788 (CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31| Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine				J Med Chem 52: 4400-18 (2009) Article DOI: 10.1021/jm900305z BindingDB Entry DOI: 10.7270/Q2CC10QM
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM338879 (US9751888, Compound 70) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r| Show InChI InChI=1S/C24H19ClN6O3/c1-13(28-23(33)20-21(26)29-30-11-3-10-27-22(20)30)18-12-14-4-2-5-17(25)19(14)24(34)31(18)15-6-8-16(32)9-7-15/h2-13,32H,1H3,(H2,26,29)(H,28,33)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50192889 (CHEMBL3975359) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C26H20N6O2/c1-3-17-9-7-10-18-15-20(32(26(34)21(17)18)19-11-5-4-6-12-19)16(2)29-25(33)22-23(27)30-31-14-8-13-28-24(22)31/h1,4-16H,2H3,(H2,27,30)(H,29,33)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...				ACS Med Chem Lett 7: 862-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00238 BindingDB Entry DOI: 10.7270/Q2N018HX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50192880 (CHEMBL3984425 | US10329299, Compound 21 | US106752...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...				ACS Med Chem Lett 7: 862-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00238 BindingDB Entry DOI: 10.7270/Q2N018HX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50192882 (CHEMBL3937119) Show SMILES CC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C27H22N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h4-8,10-17H,1-2H3,(H2,28,31)(H,30,34)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...				ACS Med Chem Lett 7: 862-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00238 BindingDB Entry DOI: 10.7270/Q2N018HX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50192899 (CHEMBL3963736) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C24H19ClN6O2/c1-14(28-23(32)20-21(26)29-30-12-6-11-27-22(20)30)18-13-15-7-5-10-17(25)19(15)24(33)31(18)16-8-3-2-4-9-16/h2-14H,1H3,(H2,26,29)(H,28,32)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...				ACS Med Chem Lett 7: 862-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00238 BindingDB Entry DOI: 10.7270/Q2N018HX
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484961 (US10934302, Example 212) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)N1CCCc2ccccc12 |r| Show InChI InChI=1S/C27H31N5O/c28-25-21-9-3-1-7-20(21)16-27(25)11-14-31(15-12-27)26-22(18-33)30-24(17-29-26)32-13-5-8-19-6-2-4-10-23(19)32/h1-4,6-7,9-10,17,25,33H,5,8,11-16,18,28H2/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484963 (US10934302, Example 214) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(nc1CO)N1CCCCc2ccccc12 |r| Show InChI InChI=1S/C28H33N5O/c29-26-22-10-3-1-9-21(22)17-28(26)12-15-32(16-13-28)27-23(19-34)31-25(18-30-27)33-14-6-5-8-20-7-2-4-11-24(20)33/h1-4,7,9-11,18,26,34H,5-6,8,12-17,19,29H2/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484964 (US10934302, Example 215) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)nc1Sc1ccnc(N)c1Cl |r| Show InChI InChI=1S/C24H27ClN6S/c1-14-22(29-15(2)23(30-14)32-18-7-10-28-21(27)19(18)25)31-11-8-24(9-12-31)13-16-5-3-4-6-17(16)20(24)26/h3-7,10,20H,8-9,11-13,26H2,1-2H3,(H2,27,28)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484966 (US10934302, Example 217) Show SMILES N[C@@H]1c2ccc(F)cc2CC11CCN(CC1)c1ccc(Sc2ccnc(N)c2Cl)nc1 |r| Show InChI InChI=1S/C23H23ClFN5S/c24-20-18(5-8-28-22(20)27)31-19-4-2-16(13-29-19)30-9-6-23(7-10-30)12-14-11-15(25)1-3-17(14)21(23)26/h1-5,8,11,13,21H,6-7,9-10,12,26H2,(H2,27,28)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484967 (US10934302, Example 218) Show SMILES N[C@@H]1c2cc(F)ccc2CC11CCN(CC1)c1ccc(Sc2ccnc(N)c2Cl)nc1 |r| Show InChI InChI=1S/C23H23ClFN5S/c24-20-18(5-8-28-22(20)27)31-19-4-3-16(13-29-19)30-9-6-23(7-10-30)12-14-1-2-15(25)11-17(14)21(23)26/h1-5,8,11,13,21H,6-7,9-10,12,26H2,(H2,27,28)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484968 (US10934302, Example 219) Show SMILES Cc1cc(cnc1Sc1ccnc(N)c1Cl)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C24H26ClN5S/c1-15-12-17(14-29-23(15)31-19-6-9-28-22(27)20(19)25)30-10-7-24(8-11-30)13-16-4-2-3-5-18(16)21(24)26/h2-6,9,12,14,21H,7-8,10-11,13,26H2,1H3,(H2,27,28)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484969 (US10934302, Example 220) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)nc1C#N |r| Show InChI InChI=1S/C23H20Cl2N6S/c24-19-17(5-8-28-21(19)25)32-18-13-29-22(16(12-26)30-18)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)20(23)27/h1-5,8,13,20H,6-7,9-11,27H2/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484970 (US10934302, Example 221) Show SMILES N[C@H]1c2ccccc2O[C@@]11CCN2[C@@H](COc3nc(Sc4ccnc(N)c4Cl)cnc23)C1 |r| Show InChI InChI=1S/C22H21ClN6O2S/c23-17-15(5-7-26-19(17)25)32-16-10-27-20-21(28-16)30-11-12-9-22(6-8-29(12)20)18(24)13-3-1-2-4-14(13)31-22/h1-5,7,10,12,18H,6,8-9,11,24H2,(H2,25,26)/t12-,18+,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484971 (US10934302, Example 222) Show SMILES N[C@@H]1c2ccccc2O[C@@]11CCN2[C@@H](COc3nc(Sc4ccnc(N)c4Cl)cnc23)C1 |r| Show InChI InChI=1S/C22H21ClN6O2S/c23-17-15(5-7-26-19(17)25)32-16-10-27-20-21(28-16)30-11-12-9-22(6-8-29(12)20)18(24)13-3-1-2-4-14(13)31-22/h1-5,7,10,12,18H,6,8-9,11,24H2,(H2,25,26)/t12-,18-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484972 (US10934302, Example 223) Show SMILES Cc1c(Sc2ccnc(N)c2Cl)nc2sc(nn12)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C23H24ClN7S2/c1-13-20(32-16-6-9-27-19(26)17(16)24)28-21-31(13)29-22(33-21)30-10-7-23(8-11-30)12-14-4-2-3-5-15(14)18(23)25/h2-6,9,18H,7-8,10-12,25H2,1H3,(H2,26,27)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484975 (US10934302, Example 226) Show SMILES N[C@@H]1c2ccccc2O[C@@]11C[C@@H]2CC3(C[C@H](C1)N23)c1cnc2c(n[nH]c2n1)N1CCCc2ncccc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484978 (US10934302, Example 229) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)C1=Nc2ncc(cc2C1)C1CC1 |r,t:18| Show InChI InChI=1S/C23H26N4/c24-21-19-4-2-1-3-16(19)13-23(21)7-9-27(10-8-23)20-12-17-11-18(15-5-6-15)14-25-22(17)26-20/h1-4,11,14-15,21H,5-10,12-13,24H2/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484981 (US10934302, Example 232) Show SMILES N[C@@H]1c2ccccc2O[C@@]11C[C@@H]2CC3(C[C@H](C1)N23)c1cnc(Sc2ccnc(N)c2Cl)cn1 |r| Show InChI InChI=1S/C24H23ClN6OS/c25-20-17(5-6-28-22(20)27)33-19-12-29-18(11-30-19)23-7-13-9-24(10-14(8-23)31(13)23)21(26)15-3-1-2-4-16(15)32-24/h1-6,11-14,21H,7-10,26H2,(H2,27,28)/t13?,14?,21-,23?,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484982 (US10934302, Example 233) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SC2CCCCC2)cn1 |r| Show InChI InChI=1S/C23H30N4S/c24-22-19-9-5-4-6-17(19)14-23(22)10-12-27(13-11-23)20-15-26-21(16-25-20)28-18-7-2-1-3-8-18/h4-6,9,15-16,18,22H,1-3,7-8,10-14,24H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484983 (US10934302, Example 234) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(S[C@H]2CCOC2)cn1 |r| Show InChI InChI=1S/C21H26N4OS/c22-20-17-4-2-1-3-15(17)11-21(20)6-8-25(9-7-21)18-12-24-19(13-23-18)27-16-5-10-26-14-16/h1-4,12-13,16,20H,5-11,14,22H2/t16-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484985 (US10934302, Example 236) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SC2CCC2)cn1 |r| Show InChI InChI=1S/C21H26N4S/c22-20-17-7-2-1-4-15(17)12-21(20)8-10-25(11-9-21)18-13-24-19(14-23-18)26-16-5-3-6-16/h1-2,4,7,13-14,16,20H,3,5-6,8-12,22H2/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484986 (US10934302, Example 237) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(SCC2CC2)c(=O)[nH]1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484987 (US10934302, Example 238) Show SMILES Cn1c(ncc(SCC2CC2)c1=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C22H28N4OS/c1-25-20(27)18(28-14-15-6-7-15)13-24-21(25)26-10-8-22(9-11-26)12-16-4-2-3-5-17(16)19(22)23/h2-5,13,15,19H,6-12,14,23H2,1H3/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484989 (US10934302, Example 240) Show SMILES N[C@@H]1c2ccc(F)cc2OC11CCN(CC1)c1cnc(SCC2CC2)cn1 |r| Show InChI InChI=1S/C20H23FN4OS/c21-14-3-4-15-16(9-14)26-20(19(15)22)5-7-25(8-6-20)17-10-24-18(11-23-17)27-12-13-1-2-13/h3-4,9-11,13,19H,1-2,5-8,12,22H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484990 (US10934302, Example 241) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SC2CC2)cn1 |r| Show InChI InChI=1S/C20H24N4S/c21-19-16-4-2-1-3-14(16)11-20(19)7-9-24(10-8-20)17-12-23-18(13-22-17)25-15-5-6-15/h1-4,12-13,15,19H,5-11,21H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484991 (US10934302, Example 242) Show SMILES Cn1c(ncc(Sc2cccc(Cl)c2Cl)c1=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C24H24Cl2N4OS/c1-29-22(31)19(32-18-8-4-7-17(25)20(18)26)14-28-23(29)30-11-9-24(10-12-30)13-15-5-2-3-6-16(15)21(24)27/h2-8,14,21H,9-13,27H2,1H3/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484993 (US10934302, Example 244) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(SCC2CC2)nc1CO |r| Show InChI InChI=1S/C22H28N4OS/c23-20-17-4-2-1-3-16(17)11-22(20)7-9-26(10-8-22)21-18(13-27)25-19(12-24-21)28-14-15-5-6-15/h1-4,12,15,20,27H,5-11,13-14,23H2/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484997 (US10934302, Example 248) Show SMILES CC(C)Sc1cnc(cn1)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C20H26N4S/c1-14(2)25-18-13-22-17(12-23-18)24-9-7-20(8-10-24)11-15-5-3-4-6-16(15)19(20)21/h3-6,12-14,19H,7-11,21H2,1-2H3/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484998 (Syntheses of (3S)-1′-[5-(cyclopentylsulfanyl...) Show SMILES Cc1nc(SC2CCCC2)cnc1N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C23H30N4S/c1-16-22(25-15-20(26-16)28-18-7-3-4-8-18)27-12-10-23(11-13-27)14-17-6-2-5-9-19(17)21(23)24/h2,5-6,9,15,18,21H,3-4,7-8,10-14,24H2,1H3/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484999 (Syntheses of (3S)-1′-[5-(cyclopentylsulfanyl...) Show SMILES Cc1nc(cnc1SC1CCCC1)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C23H30N4S/c1-16-22(28-18-7-3-4-8-18)25-15-20(26-16)27-12-10-23(11-13-27)14-17-6-2-5-9-19(17)21(23)24/h2,5-6,9,15,18,21H,3-4,7-8,10-14,24H2,1H3/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485001 (US10934302, Example 252) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nn2cc(nc2s1)C1CCCC1 |r| Show InChI InChI=1S/C22H27N5S/c23-19-17-8-4-3-7-16(17)13-22(19)9-11-26(12-10-22)21-25-27-14-18(24-20(27)28-21)15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13,23H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485002 (US10934302, Example 253) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nn2cc(nc2s1)C1CC1 |r| Show InChI InChI=1S/C20H23N5S/c21-17-15-4-2-1-3-14(15)11-20(17)7-9-24(10-8-20)19-23-25-12-16(13-5-6-13)22-18(25)26-19/h1-4,12-13,17H,5-11,21H2/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485004 (US10934302, Example 255) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2[nH]nc(N3CCCCC3)c2nc1C1CC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485005 (US10934302, Example 256) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(cn1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O/c25-23-19-9-5-4-8-18(19)14-24(23)10-12-28(13-11-24)21-16-26-20(15-27-21)22(29)17-6-2-1-3-7-17/h1-9,15-16,23H,10-14,25H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485006 (US10934302, Example 257) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(cn1)C(=N\O)\c1ccccc1 |r| Show InChI InChI=1S/C24H25N5O/c25-23-19-9-5-4-8-18(19)14-24(23)10-12-29(13-11-24)21-16-26-20(15-27-21)22(28-30)17-6-2-1-3-7-17/h1-9,15-16,23,30H,10-14,25H2/b28-22+/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485007 (US10934302, Example 258) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ccc(Sc2ccnc(N)c2Cl)nc1CO |r| Show InChI InChI=1S/C24H26ClN5OS/c25-21-19(7-10-28-23(21)27)32-20-6-5-18(17(14-31)29-20)30-11-8-24(9-12-30)13-15-3-1-2-4-16(15)22(24)26/h1-7,10,22,31H,8-9,11-14,26H2,(H2,27,28)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485008 (Syntheses of (1R)-1-{3-[(3S)-3-amino-1,3-dihydrosp...) Show SMILES C[C@@H](O)c1nc(Sc2ccnc(Cl)c2Cl)cnc1N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C24H25Cl2N5OS/c1-14(32)20-23(29-13-18(30-20)33-17-6-9-28-22(26)19(17)25)31-10-7-24(8-11-31)12-15-4-2-3-5-16(15)21(24)27/h2-6,9,13-14,21,32H,7-8,10-12,27H2,1H3/t14-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485010 (US10934302, Example 261) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485012 (US10934302, Example 263) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SCc2cccc(Cl)n2)cn1 |r| Show InChI InChI=1S/C23H24ClN5S/c24-19-7-3-5-17(28-19)15-30-21-14-26-20(13-27-21)29-10-8-23(9-11-29)12-16-4-1-2-6-18(16)22(23)25/h1-7,13-14,22H,8-12,15,25H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485013 (US10934302, Example 264) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SCC2CCCC2)cn1 |r| Show InChI InChI=1S/C23H30N4S/c24-22-19-8-4-3-7-18(19)13-23(22)9-11-27(12-10-23)20-14-26-21(15-25-20)28-16-17-5-1-2-6-17/h3-4,7-8,14-15,17,22H,1-2,5-6,9-13,16,24H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485014 (US10934302, Example 265) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SCCc2ccccc2)cn1 |r| Show InChI InChI=1S/C25H28N4S/c26-24-21-9-5-4-8-20(21)16-25(24)11-13-29(14-12-25)22-17-28-23(18-27-22)30-15-10-19-6-2-1-3-7-19/h1-9,17-18,24H,10-16,26H2/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485015 (US10934302, Example 266) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(SCC2CC2)cn1 |r| Show InChI InChI=1S/C21H26N4S/c22-20-17-4-2-1-3-16(17)11-21(20)7-9-25(10-8-21)18-12-24-19(13-23-18)26-14-15-5-6-15/h1-4,12-13,15,20H,5-11,14,22H2/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485016 (US10934302, Example 267) Show SMILES Cc1ccc(cc1)C(=O)CSc1cnc(cn1)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C26H28N4OS/c1-18-6-8-19(9-7-18)22(31)17-32-24-16-28-23(15-29-24)30-12-10-26(11-13-30)14-20-4-2-3-5-21(20)25(26)27/h2-9,15-16,25H,10-14,17,27H2,1H3/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485017 (US10934302, Example 268) Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(CO)nc1-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-21(16-6-4-7-17(25)20(16)26)29-18(13-31)23(28-14)30-11-9-24(10-12-30)22(27)15-5-2-3-8-19(15)32-24/h2-8,22,31H,9-13,27H2,1H3/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485018 (US10934302, Example 269) Show SMILES Cc1nc(N2CCC3(Cc4c(cccc4F)[C@H]3N)CC2)c(CO)nc1-c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C25H25Cl2FN4O/c1-14-22(16-5-2-6-18(26)21(16)27)31-20(13-33)24(30-14)32-10-8-25(9-11-32)12-17-15(23(25)29)4-3-7-19(17)28/h2-7,23,33H,8-13,29H2,1H3/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485020 (US10934302, Example 271) Show SMILES Cc1cc(cc(c1)S(C)(=O)=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r| Show InChI InChI=1S/C21H26N2O2S/c1-15-11-17(13-18(12-15)26(2,24)25)23-9-7-21(8-10-23)14-16-5-3-4-6-19(16)20(21)22/h3-6,11-13,20H,7-10,14,22H2,1-2H3/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485021 (US10934302, Example 272) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ccc(SCC2CC2)nc1 |r| Show InChI InChI=1S/C22H27N3S/c23-21-19-4-2-1-3-17(19)13-22(21)9-11-25(12-10-22)18-7-8-20(24-14-18)26-15-16-5-6-16/h1-4,7-8,14,16,21H,5-6,9-13,15,23H2/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM485022 (US10934302, Example 273) Show SMILES N[C@@H]1c2ccccc2OC11CCN(CC1)c1cnc(SCC2CC2)cn1 |r| Show InChI InChI=1S/C20H24N4OS/c21-19-15-3-1-2-4-16(15)25-20(19)7-9-24(10-8-20)17-11-23-18(12-22-17)26-13-14-5-6-14/h1-4,11-12,14,19H,5-10,13,21H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Relay Therapeutics, Inc. 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 US10934302 (2021) BindingDB Entry DOI: 10.7270/Q2ZW1Q1S
					More data for this Ligand-Target Pair

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