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Found 1029 hits with Last Name = 'walters' and Initial = 'wp'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
SH2B adapter protein 2


(Human)
BDBM484999
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(US10934302, Example 255)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2[nH]nc(N3CCCCC3)c2nc1C1CC1 |r|
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(US10934302, Example 261)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c(=O)[nH]1 |r|
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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)
BDBM485025
PNG
(US10934302, Example 276)
Show SMILES N[C@H]1c2ccccc2C[C@]11CC[C@@H](CC1)c1cnc(Sc2ccnc(Cl)c2Cl)cn1 |r,wU:12.17,wD:9.9,1.0,(-.45,9.53,;-1.6,8.5,;-3.11,8.82,;-3.88,10.15,;-5.42,10.15,;-6.19,8.82,;-5.42,7.48,;-3.88,7.48,;-2.84,6.34,;-1.44,6.97,;-1.44,5.43,;-.1,4.66,;1.23,5.43,;1.23,6.97,;-.1,7.74,;2.56,4.66,;2.56,3.12,;3.9,2.35,;5.23,3.12,;6.56,2.35,;6.56,.81,;5.23,.04,;5.23,-1.5,;6.56,-2.27,;7.9,-1.5,;9.23,-2.27,;7.9,.04,;9.23,.81,;5.23,4.66,;3.9,5.43,)|
Show InChI InChI=1S/C23H22Cl2N4S/c24-20-18(7-10-27-22(20)25)30-19-13-28-17(12-29-19)14-5-8-23(9-6-14)11-15-3-1-2-4-16(15)21(23)26/h1-4,7,10,12-14,21H,5-6,8-9,11,26H2/t14-,21-,23+/m0/s1
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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)
BDBM485027
PNG
(US10934302, Example 278)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(CC1)Oc1cc(F)ccc1[C@H]2N)N1CCCCC1 |r|
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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)
BDBM485028
PNG
(Syntheses of (1s,3'S,4R)-4-{6-[(2,3-dichloropyridi...)
Show SMILES N[C@@H]1c2ccccc2C[C@]11CC[C@@H](CC1)c1ccc(Sc2ccnc(Cl)c2Cl)nc1 |r,wU:1.0,12.17,wD:9.9,(-.45,10.3,;-1.6,9.27,;-3.11,9.59,;-3.88,10.92,;-5.42,10.92,;-6.19,9.59,;-5.42,8.25,;-3.88,8.25,;-2.84,7.11,;-1.44,7.74,;-1.44,6.2,;-.1,5.43,;1.23,6.2,;1.23,7.74,;-.1,8.51,;2.56,5.43,;2.56,3.89,;3.9,3.12,;5.23,3.89,;6.56,3.12,;6.56,1.58,;5.23,.81,;5.23,-.73,;6.56,-1.5,;7.9,-.73,;9.23,-1.5,;7.9,.81,;9.23,1.58,;5.23,5.43,;3.9,6.2,)|
Show InChI InChI=1S/C24H23Cl2N3S/c25-21-19(9-12-28-23(21)26)30-20-6-5-17(14-29-20)15-7-10-24(11-8-15)13-16-3-1-2-4-18(16)22(24)27/h1-6,9,12,14-15,22H,7-8,10-11,13,27H2/t15-,22-,24+/m1/s1
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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)
BDBM485029
PNG
(US10934302, Example 280)
Show SMILES N[C@H]1c2ccccc2C[C@]11CC[C@@H](CC1)c1ccc(CSc2ccnc(Cl)c2Cl)nc1 |r,wU:12.17,wD:9.9,1.0,(-.56,11.07,;-1.71,10.04,;-3.22,10.36,;-3.99,11.69,;-5.53,11.69,;-6.3,10.36,;-5.53,9.03,;-3.99,9.03,;-2.96,7.88,;-1.55,8.51,;-1.55,6.97,;-.21,6.2,;1.12,6.97,;1.12,8.51,;-.21,9.28,;2.45,6.2,;2.45,4.66,;3.79,3.89,;5.12,4.66,;6.45,3.89,;6.45,2.35,;6.45,.81,;5.12,.04,;5.12,-1.5,;6.45,-2.27,;7.79,-1.5,;9.12,-2.27,;7.79,.04,;9.12,.81,;5.12,6.2,;3.79,6.97,)|
Show InChI InChI=1S/C25H25Cl2N3S/c26-22-21(9-12-29-24(22)27)31-15-19-6-5-18(14-30-19)16-7-10-25(11-8-16)13-17-3-1-2-4-20(17)23(25)28/h1-6,9,12,14,16,23H,7-8,10-11,13,15,28H2/t16-,23-,25+/m0/s1
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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)
BDBM485031
PNG
(Syntheses of (1s, 3'S, 4R)-4-{6-[(cyclopropylmethy...)
Show SMILES N[C@H]1c2ccccc2C[C@]11CC[C@@H](CC1)c1ccc(CSCC2CC2)nc1 |r,wU:12.17,wD:9.9,1.0,(-.71,7.41,;-1.85,6.38,;-3.36,6.7,;-4.13,8.04,;-5.67,8.04,;-6.44,6.7,;-5.67,5.37,;-4.13,5.37,;-3.1,4.22,;-1.69,4.85,;-1.69,3.31,;-.36,2.54,;.97,3.31,;.97,4.85,;-.36,5.62,;2.31,2.54,;3.64,3.31,;4.98,2.54,;4.98,1,;6.31,.23,;6.31,-1.31,;6.31,-2.85,;7.64,-3.62,;8.41,-4.95,;9.18,-3.62,;3.64,.23,;2.31,1,)|
Show InChI InChI=1S/C24H30N2S/c25-23-22-4-2-1-3-19(22)13-24(23)11-9-18(10-12-24)20-7-8-21(26-14-20)16-27-15-17-5-6-17/h1-4,7-8,14,17-18,23H,5-6,9-13,15-16,25H2/t18-,23-,24+/m0/s1
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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)
BDBM485034
PNG
(US10934302, Example 285)
Show SMILES N[C@H]1c2ccccc2C[C@@]11CC[C@@H](CC1)c1cnc(SCC2CC2)cn1 |r,wD:9.9,1.0,12.17,(-.89,10.11,;-2.03,9.08,;-3.54,9.4,;-4.31,10.73,;-5.85,10.73,;-6.62,9.4,;-5.85,8.07,;-4.31,8.07,;-3.28,6.92,;-1.87,7.55,;-.54,8.32,;.79,7.55,;.79,6.01,;-.54,5.24,;-1.87,6.01,;2.13,5.24,;2.13,3.7,;3.46,2.93,;4.8,3.7,;6.13,2.93,;6.13,1.39,;7.46,.62,;8.23,-.71,;9,.62,;4.8,5.24,;3.46,6.01,)|
Show InChI InChI=1S/C22H27N3S/c23-21-18-4-2-1-3-17(18)11-22(21)9-7-16(8-10-22)19-12-25-20(13-24-19)26-14-15-5-6-15/h1-4,12-13,15-16,21H,5-11,14,23H2/t16-,21-,22-/m0/s1
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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)
BDBM485035
PNG
(US10934302, Example 286)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)C(=O)c1csc(n1)-c1c(Cl)cccc1Cl |r|
Show InChI InChI=1S/C23H21Cl2N3OS/c24-16-6-3-7-17(25)19(16)21-27-18(13-30-21)22(29)28-10-8-23(9-11-28)12-14-4-1-2-5-15(14)20(23)26/h1-7,13,20H,8-12,26H2/t20-/m1/s1
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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)
BDBM485036
PNG
(US10934302, Example 287)
Show SMILES COc1cccc(c1)-n1ccc(n1)C(=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r|
Show InChI InChI=1S/C24H26N4O2/c1-30-19-7-4-6-18(15-19)28-12-9-21(26-28)23(29)27-13-10-24(11-14-27)16-17-5-2-3-8-20(17)22(24)25/h2-9,12,15,22H,10-11,13-14,16,25H2,1H3/t22-/m1/s1
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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)
BDBM485038
PNG
(US10934302, Example 289)
Show SMILES Cc1cc(nn1-c1ccc(F)cc1F)C(=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r|
Show InChI InChI=1S/C24H24F2N4O/c1-15-12-20(28-30(15)21-7-6-17(25)13-19(21)26)23(31)29-10-8-24(9-11-29)14-16-4-2-3-5-18(16)22(24)27/h2-7,12-13,22H,8-11,14,27H2,1H3/t22-/m1/s1
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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)
BDBM485039
PNG
(Syntheses of (S)-1-((S)-1-amino-1,3-dihydrospiro[i...)
Show SMILES C[C@H](C(=O)N1CCC2(Cc3ccccc3[C@H]2N)CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H25FN2O/c1-15(16-6-8-18(23)9-7-16)21(26)25-12-10-22(11-13-25)14-17-4-2-3-5-19(17)20(22)24/h2-9,15,20H,10-14,24H2,1H3/t15-,20+/m0/s1
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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)
BDBM485042
PNG
(US10934302, Example 293)
Show SMILES Cc1ccc2sc(nn12)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r|
Show InChI InChI=1S/C19H22N4S/c1-13-6-7-16-23(13)21-18(24-16)22-10-8-19(9-11-22)12-14-4-2-3-5-15(14)17(19)20/h2-7,17H,8-12,20H2,1H3/t17-/m1/s1
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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)
BDBM485043
PNG
(US10934302, Example 294)
Show SMILES Cc1cc(-c2cccnc2)c(C)c(n1)N1CCC2(Cc3ccccc3[C@H]2N)CC1 |r|
Show InChI InChI=1S/C25H28N4/c1-17-14-22(20-7-5-11-27-16-20)18(2)24(28-17)29-12-9-25(10-13-29)15-19-6-3-4-8-21(19)23(25)26/h3-8,11,14,16,23H,9-10,12-13,15,26H2,1-2H3/t23-/m1/s1
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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)
BDBM484894
PNG
(US10934302, Example 145)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(s1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H22ClN3S/c23-18-8-4-3-7-17(18)19-14-25-21(27-19)26-11-9-22(10-12-26)13-15-5-1-2-6-16(15)20(22)24/h1-8,14,20H,9-13,24H2/t20-/m1/s1
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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)
BDBM484895
PNG
(US10934302, Example 146)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(cn1)N1CCCc2ncccc12 |r|
Show InChI InChI=1S/C25H28N6/c26-24-19-6-2-1-5-18(19)15-25(24)9-13-30(14-10-25)22-16-29-23(17-28-22)31-12-4-7-20-21(31)8-3-11-27-20/h1-3,5-6,8,11,16-17,24H,4,7,9-10,12-15,26H2/t24-/m1/s1
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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)
BDBM484896
PNG
(US10934302, Example 147)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)cn1 |r|
Show InChI InChI=1S/C23H22Cl2N4S/c24-17-6-3-7-18(21(17)25)30-20-14-27-19(13-28-20)29-10-8-23(9-11-29)12-15-4-1-2-5-16(15)22(23)26/h1-7,13-14,22H,8-12,26H2/t22-/m1/s1
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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)
BDBM484897
PNG
(US10934302, Example 148)
Show SMILES CN(c1n[nH]c2nc(cnc12)N1CCC2(Cc3ccccc3[C@H]2N)CC1)c1ccnc(N)c1 |r|
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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)
BDBM484898
PNG
(US10934302, Example 149)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(Cc3ccccc3[C@H]2N)CC1)N1CCCc2nc(ccc12)-c1cnn(C)c1 |r|
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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)
BDBM484900
PNG
(US10934302, Example 151)
Show SMILES C[C@H](N(C)c1n[nH]c2nc(cnc12)N1CCC2(Cc3ccccc3[C@H]2N)CC1)C(N)=O |r|
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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)
BDBM484901
PNG
(US10934302, Example 152)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(Cc3ccccc3[C@H]2N)CC1)N1CCCCC1 |r|
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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)
BDBM484902
PNG
(US10934302, Example 153)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2[nH]nc(CC#N)c2nc1CO |r|
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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)
BDBM484903
PNG
(US10934302, Example 154)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2[nH]nc(C#N)c2nc1CO |r|
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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)
BDBM484904
PNG
(US10934302, Example 155)
Show SMILES CNC(=O)c1n[nH]c2nc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)nc12 |r|
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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)
BDBM484905
PNG
(US10934302, Example 156)
Show SMILES Cc1n[nH]c2nc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)nc12 |r|
PDB
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UniProtKB/SwissProt

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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)
BDBM484906
PNG
(US10934302, Example 157)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(Cc2ccnc(Cl)c2Cl)cn1 |r|
Show InChI InChI=1S/C23H23Cl2N5/c24-20-15(5-8-27-22(20)25)11-17-13-29-19(14-28-17)30-9-6-23(7-10-30)12-16-3-1-2-4-18(16)21(23)26/h1-5,8,13-14,21H,6-7,9-12,26H2/t21-/m1/s1
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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)
BDBM484907
PNG
(US10934302, Example 158)
Show SMILES COc1n[nH]c2nc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)nc12 |r|
PDB
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UniProtKB/SwissProt

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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)
BDBM484853
PNG
(US10934302, Example 104 | US10934302, Example 159)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc2[nH]ncc2nc1CO |r|
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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)
BDBM484909
PNG
(US10934302, Example 160)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(Cc3ccccc3[C@H]2N)CC1)N1CCOCC1 |r|
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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)
BDBM484910
PNG
(US10934302, Example 161)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(CC1)Oc1ccccc1[C@H]2N)N1CCCc2ncccc12 |r|
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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)
BDBM484913
PNG
(US10934302, Example 164)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(cn1)N1CCC[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5/c28-26-22-10-5-4-9-21(22)17-27(26)12-15-31(16-13-27)24-18-30-25(19-29-24)32-14-6-11-23(32)20-7-2-1-3-8-20/h1-5,7-10,18-19,23,26H,6,11-17,28H2/t23-,26-/m1/s1
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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)
BDBM484915
PNG
(US10934302, Example 166)
Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1cnc(cn1)N1CCCC[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C28H33N5/c29-27-23-11-5-4-10-22(23)18-28(27)13-16-32(17-14-28)25-19-31-26(20-30-25)33-15-7-6-12-24(33)21-8-2-1-3-9-21/h1-5,8-11,19-20,24,27H,6-7,12-18,29H2/t24-,27-/m1/s1
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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)
BDBM484916
PNG
(US10934302, Example 167)
Show SMILES Cc1nc2c(n[nH]c2nc1N1CCC2(Cc3ccccc3[C@H]2N)CC1)C1=CCOCC1 |r,t:30|
PDB
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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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