Compile Data Set for Download or QSAR

Found 1805 hits of ic50 data for polymerid = 2619   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM575655 ((S)-(6-((2-amino-3-chloropyridin-4-yl)thio)- 3-(5-...) Show SMILES N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO |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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497145 (US11001561, Compound 119b | US11702392, Compound 1...) Show SMILES Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC2(Cc3ccccc3[C@@H]2N)CC1 |wU:27.31,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;.11,-5.1,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,)| Show InChI InChI=1S/C24H24Cl2N4O/c1-15-28-20(13-21(31)30(15)19-8-4-7-18(25)22(19)26)29-11-9-24(10-12-29)14-16-5-2-3-6-17(16)23(24)27/h2-8,13,23H,9-12,14,27H2,1H3/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM575622 ((6-((2-amino-3-chloropyridin-4-yl)thio)-3- ((3S,4S...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc(N)c3Cl)nc2CO)[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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM503414 ((5P)-6-amino-2-[(1S)-1-amino-1,3- dihydrospiro[ind...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1nc(N)c(C2=C(Cl)C(Cl)=CCC2)c(n1)C(N)=O |r,c:23,27| 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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930X9N
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497088 (US11001561, Compound 74a | US11702392, Compound 10...) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wD:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C25H26Cl2N4O/c1-15-23(29-16(2)31(24(15)32)20-9-5-8-19(26)21(20)27)30-12-10-25(11-13-30)14-17-6-3-4-7-18(17)22(25)28/h3-9,22H,10-14,28H2,1-2H3/t22-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM503416 ((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...) Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:1.0,(4.07,3.3,;4.55,1.84,;6.01,1.36,;7.34,2.13,;8.68,1.36,;8.68,-.18,;7.34,-.95,;6.01,-.18,;4.55,-.66,;3.64,.59,;2.87,1.92,;1.33,1.92,;.56,.59,;1.33,-.74,;2.87,-.74,;-.98,.59,;-1.75,1.92,;-3.29,1.92,;-4.06,3.26,;-4.06,.59,;-5.6,.59,;-6.37,-.74,;-7.91,-.74,;-8.68,.59,;-7.91,1.92,;-8.68,3.26,;-6.37,1.92,;-6.77,3.41,;-3.29,-.74,;-1.75,-.74,;-4.06,-2.08,;-3.29,-3.41,;-5.6,-2.08,)| 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	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930X9N
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497078 (US11001561, Compound 66b | US11702392, Compound 66...) Show SMILES Cc1nc(N2CCC3(Cc4ncccc4[C@@H]3N)CC2)c(C)c(=O)n1-c1cccc(Cl)c1Cl |r,wU:15.17,(-3.34,2.87,;-2.94,1.38,;-1.45,.98,;-1.05,-.51,;.44,-.91,;.83,-2.39,;2.32,-2.79,;3.41,-1.7,;4,-3.13,;5.54,-3,;6.65,-4.06,;8.13,-3.62,;8.49,-2.13,;7.37,-1.07,;5.89,-1.51,;4.58,-.7,;4.58,.84,;3.01,-.22,;1.52,.18,;-2.14,-1.6,;-1.74,-3.08,;-3.63,-1.2,;-4.72,-2.29,;-4.03,.29,;-5.51,.69,;-6.6,-.4,;-8.09,-0,;-8.49,1.49,;-7.4,2.57,;-7.8,4.06,;-5.91,2.18,;-4.82,3.26,)| Show InChI InChI=1S/C24H25Cl2N5O/c1-14-22(29-15(2)31(23(14)32)19-7-3-6-17(25)20(19)26)30-11-8-24(9-12-30)13-18-16(21(24)27)5-4-10-28-18/h3-7,10,21H,8-9,11-13,27H2,1-2H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527818 ((2R,4R)-4-amino-8- (8-((2,3- dichlorophenyl)thio) ...) Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497106 (US11001561, Compound 81b | US11702392, Compound 81...) Show SMILES Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl |wU:17.20,(-7.45,-1.1,;-6.68,-2.44,;-5.14,-2.44,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;-.52,-2.44,;-2.06,-2.44,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;.68,-6.48,;-5.14,-5.1,;-4.37,-6.44,;-6.68,-5.1,;-7.45,-6.44,;-7.45,-3.77,;-8.99,-3.77,;-9.76,-2.44,;-11.3,-2.44,;-12.07,-3.77,;-11.3,-5.1,;-12.07,-6.44,;-9.76,-5.1,;-8.99,-6.44,)| Show InChI InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527838 ((3S,4S)-8-(8- ((2,3- dichlorophenyl) thio)imidazo[...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc(Cl)c3Cl)c3nccn23)[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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527920 ((S)-1'-(8- (thieno[3,2- b]pyridin-7- ylthio)imidaz...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3ccsc23)c2nccn12 |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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527927 ((S)-1'-(8-((2,3- dichlorophenyl)thio) imidazo[1,2-...) Show SMILES N[C@@H]1c2cccnc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527922 ((S)-1'-(8-((2- (methylthio)phenyl) thio)imidazo[1,...) Show SMILES CSc1ccccc1Sc1cnc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)n2ccnc12 |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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497134 (US11001561, Compound 109 | US11702392, Compound 10...) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(Cl)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C25H25Cl2FN4O/c1-14-23(30-15(2)32(24(14)33)19-8-7-18(28)20(26)21(19)27)31-11-9-25(10-12-31)13-16-5-3-4-6-17(16)22(25)29/h3-8,22H,9-13,29H2,1-2H3/t22-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479328 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CC6(CC6)CC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C26H34N6O3S/c1-16-22(27)26(15-35-16)5-8-31(9-6-26)23-18(12-33)30-20(11-29-23)36-19-2-7-28-24-21(19)34-13-17-10-25(3-4-25)14-32(17)24/h2,7,11,16-17,22,33H,3-6,8-10,12-15,27H2,1H3/t16-,17?,22+/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM503416 ((5M)-2-[(1S)-1-amino-1,3- dihydrospiro[indene-2,4'...) Show SMILES N[C@H]1c2cccnc2OC11CCN(CC1)c1nc(N)c(-c2cccc(Cl)c2Cl)c(n1)C(N)=O |r,wU:1.0,(4.07,3.3,;4.55,1.84,;6.01,1.36,;7.34,2.13,;8.68,1.36,;8.68,-.18,;7.34,-.95,;6.01,-.18,;4.55,-.66,;3.64,.59,;2.87,1.92,;1.33,1.92,;.56,.59,;1.33,-.74,;2.87,-.74,;-.98,.59,;-1.75,1.92,;-3.29,1.92,;-4.06,3.26,;-4.06,.59,;-5.6,.59,;-6.37,-.74,;-7.91,-.74,;-8.68,.59,;-7.91,1.92,;-8.68,3.26,;-6.37,1.92,;-6.77,3.41,;-3.29,-.74,;-1.75,-.74,;-4.06,-2.08,;-3.29,-3.41,;-5.6,-2.08,)| 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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				Citation and Details BindingDB Entry DOI: 10.7270/Q2930X9N
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM497135 (US11001561, Compound 110 | US11702392, Compound 11...) Show SMILES Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(C)c1Cl |wD:15.17,(-2.2,-1.1,;-1.43,-2.44,;.11,-2.44,;.88,-3.77,;2.42,-3.77,;3.19,-5.1,;4.73,-5.1,;5.5,-3.77,;6.4,-5.02,;7.87,-4.54,;9.2,-5.31,;10.53,-4.54,;10.53,-3,;9.2,-2.23,;7.87,-3,;6.4,-2.53,;5.92,-1.06,;4.73,-2.44,;3.19,-2.44,;.11,-5.1,;.88,-6.44,;-1.43,-5.1,;-2.2,-6.44,;-2.2,-3.77,;-3.74,-3.77,;-4.51,-2.44,;-6.05,-2.44,;-6.82,-3.77,;-8.36,-3.77,;-6.05,-5.1,;-6.82,-6.44,;-4.51,-5.1,;-3.74,-6.44,)| Show InChI InChI=1S/C26H28ClFN4O/c1-15-20(28)8-9-21(22(15)27)32-17(3)30-24(16(2)25(32)33)31-12-10-26(11-13-31)14-18-6-4-5-7-19(18)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing...				US Patent US11001561 (2021) BindingDB Entry DOI: 10.7270/Q2BC42PT
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479328 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CC6(CC6)CC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C26H34N6O3S/c1-16-22(27)26(15-35-16)5-8-31(9-6-26)23-18(12-33)30-20(11-29-23)36-19-2-7-28-24-21(19)34-13-17-10-25(3-4-25)14-32(17)24/h2,7,11,16-17,22,33H,3-6,8-10,12-15,27H2,1H3/t16-,17?,22+/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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527868 ((S)-1'-(8-((2,3- dichlorophenyl)thio) imidazo[1,2-...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527919 ((S)-1'-(8-(thieno[2,3- b]pyridin-4- ylthio)imidazo...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3sccc23)c2nccn12 |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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479344 ((3-((3S,4)S-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](COCC6CC6)C[C@H]5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C29H40N6O4S/c1-18-26(30)29(17-39-18)5-8-34(9-6-29)27-22(13-36)33-24(11-32-27)40-23-4-7-31-28-25(23)38-16-21-10-20(12-35(21)28)15-37-14-19-2-3-19/h4,7,11,18-21,26,36H,2-3,5-6,8-10,12-17,30H2,1H3/t18-,20-,21-,26+/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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527921 ((S)-1'-(8- (benzo[d]isothiazol- 7-ylthio) imidazo[...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2cccc3cnsc23)c2nccn12 |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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479347 ((3-((S)-5-amino-5,7-dihydrospiro[cyclo- penta[b]py...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C29H35N7O3S/c1-38-16-18-11-19-17-39-25-23(4-8-32-28(25)36(19)14-18)40-24-13-33-27(22(15-37)34-24)35-9-5-29(6-10-35)12-21-20(26(29)30)3-2-7-31-21/h2-4,7-8,13,18-19,26,37H,5-6,9-12,14-17,30H2,1H3/t18-,19-,26+/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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527761 ((3S,4S)-8-(8-(2,3- dichlorophenyl)-7- methylimidaz...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(-c3cccc(Cl)c3Cl)c3nccn23)[C@@H]1N |r,wD:28.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;3.35,-1.77,;2.02,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-3.32,-1,;-4.46,-2.03,;-3.84,-3.44,;-2.3,-3.28,;-1.98,-1.77,;4.76,-2.68,;5.08,-1.18,)| 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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527827 ((R)-8-(8-((2,3- dichlorophenyl)thio) imidazo[1,2- ...) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2cccc(Cl)c2Cl)c2nccn12 |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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527926 ((S)-1'-(8- (quinolin-4- ylthio)imidazo[1, 2-c]pyri...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3ccccc23)c2nccn12 |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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479312 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCCC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C24H32N6O3S/c1-15-21(25)24(14-33-15)5-9-29(10-6-24)22-17(12-31)28-19(11-27-22)34-18-4-7-26-23-20(18)32-13-16-3-2-8-30(16)23/h4,7,11,15-16,21,31H,2-3,5-6,8-10,12-14,25H2,1H3/t15-,16?,21+/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479327 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@H](C[C@H]5COc34)OCC3CC3)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C28H38N6O4S/c1-17-25(29)28(16-38-17)5-8-33(9-6-28)26-21(13-35)32-23(11-31-26)39-22-4-7-30-27-24(22)37-15-19-10-20(12-34(19)27)36-14-18-2-3-18/h4,7,11,17-20,25,35H,2-3,5-6,8-10,12-16,29H2,1H3/t17-,19-,20-,25+/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM575630 ((3S,4S)-8-(5-((6-amino-2,3-dichloropyridin- 4-yl)t...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc(N)nc(Cl)c3Cl)nc2S(C)=O)[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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479312 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5CCCC5COc34)nc2CO)[C@@H]1N |r| Show InChI InChI=1S/C24H32N6O3S/c1-15-21(25)24(14-33-15)5-9-29(10-6-24)22-17(12-31)28-19(11-27-22)34-18-4-7-26-23-20(18)32-13-16-3-2-8-30(16)23/h4,7,11,15-16,21,31H,2-3,5-6,8-10,12-14,25H2,1H3/t15-,16?,21+/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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM575653 ((6-((2-amino-3-chloropyridin-4-yl)thio)-3- (4-amin...) Show SMILES NC1C2(CC2)CCC11CCN(CC1)c1ncc(Sc2ccnc(N)c2Cl)nc1CO 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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527829 ((R)-8-(8-((2,3- dichloropyridin-4- yl)thio)imidazo...) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1ncc(Sc2ccnc(Cl)c2Cl)c2nccn12 |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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527816 ((2R,4R)-4-amino-8- (8-(2,3- dichlorophenyl)-7- met...) Show SMILES Cc1nc(N2CCC3(C[C@@H](O)C[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:12.13,9.9,(-1.22,3.55,;-1.22,2.01,;.11,1.24,;.11,-.3,;1.45,-1.07,;1.45,-2.61,;2.78,-3.38,;4.12,-2.61,;4.28,-4.14,;5.78,-4.46,;6.41,-5.86,;6.55,-3.12,;5.52,-1.98,;5.84,-.47,;4.12,-1.07,;2.78,-.3,;-1.22,-1.07,;-1.54,-2.57,;-3.07,-2.73,;-3.7,-1.33,;-2.55,-.3,;-2.55,1.24,;-3.89,2.01,;-5.22,1.24,;-6.55,2.01,;-6.55,3.55,;-5.22,4.32,;-5.22,5.86,;-3.89,3.55,;-2.55,4.32,)| 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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527852 ((R)-8-(7-chloro-8- (2,3- dichlorophenyl)- imidazo[...) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1nc(Cl)c(-c2cccc(Cl)c2Cl)c2nccn12 |r,wD:1.0,(5.84,-1.18,;5.52,-2.68,;6.55,-3.83,;5.78,-5.16,;4.28,-4.84,;4.12,-3.31,;4.12,-1.77,;2.78,-1,;1.45,-1.77,;1.45,-3.31,;2.78,-4.08,;.11,-1,;.11,.54,;-1.22,1.31,;-1.22,2.85,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,;-2.55,-1,;-3.7,-2.03,;-3.07,-3.44,;-1.54,-3.28,;-1.22,-1.77,)| 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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527817 ((2S,4R)-4-amino-8- (8-(2,3- dichlorophenyl)-7- met...) Show SMILES Cc1nc(N2CCC3(C[C@H](O)C[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wU:9.9,wD:12.13,(-1.22,3.55,;-1.22,2.01,;.11,1.24,;.11,-.3,;1.45,-1.07,;1.45,-2.61,;2.78,-3.38,;4.12,-2.61,;4.28,-4.14,;5.78,-4.46,;6.41,-5.86,;6.55,-3.12,;5.52,-1.98,;5.84,-.47,;4.12,-1.07,;2.78,-.3,;-1.22,-1.07,;-1.54,-2.57,;-3.07,-2.73,;-3.7,-1.33,;-2.55,-.3,;-2.55,1.24,;-3.89,2.01,;-5.22,1.24,;-6.55,2.01,;-6.55,3.55,;-5.22,4.32,;-5.22,5.86,;-3.89,3.55,;-2.55,4.32,)| 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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527859 ((3S,4S)-8-(8-((2,3- dichlorophenyl)thio)- 7-methyl...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(Sc3cccc(Cl)c3Cl)c3nccn23)[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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479359 ((3-((S)-5-amino-5,7-dihydro- spiro[cyclopenta[b]py...) Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(Cc7ncccc7[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C30H37N7O4S/c1-39-18-40-16-19-11-20-17-41-26-24(4-8-33-29(26)37(20)14-19)42-25-13-34-28(23(15-38)35-25)36-9-5-30(6-10-36)12-22-21(27(30)31)3-2-7-32-22/h2-4,7-8,13,19-20,27,38H,5-6,9-12,14-18,31H2,1H3/t19-,20-,27+/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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527891 ((3S,4S)-8-(8-((3- chloro-2- (methylthio)phenyl) th...) Show SMILES CSc1c(Cl)cccc1Sc1cnc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)n2ccnc12 |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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM575657 (3-((5-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cc4[nH]c5CCC(O)Cc5c4nc3Cl)nc2CO)[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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				Citation and Details BindingDB Entry DOI: 10.7270/Q2028VS0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479361 ((3-((3S,4S)-4-amino-3-methyl-2-oxa- 8-azaspiro[4.5...) Show SMILES COCOC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C27H38N6O5S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)39-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18+,19-,24+/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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527793 ((Saxial,R)-8-(8-(2,3- dichlorophenyl)-7- methylimi...) Show SMILES Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1-c1cccc(Cl)c1Cl |r,wD:11.12,(-1.22,2.85,;-1.22,1.31,;.11,.54,;.11,-1,;1.45,-1.77,;2.78,-1,;4.12,-1.77,;4.12,-3.31,;4.28,-4.84,;5.78,-5.16,;6.55,-3.83,;5.52,-2.68,;5.84,-1.18,;2.78,-4.08,;1.45,-3.31,;-1.22,-1.77,;-1.54,-3.28,;-3.07,-3.44,;-3.7,-2.03,;-2.55,-1,;-2.55,.54,;-3.89,1.31,;-5.22,.54,;-6.55,1.31,;-6.55,2.85,;-5.22,3.62,;-5.22,5.16,;-3.89,2.85,;-2.55,3.62,)| 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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527925 ((S)-1'-(8-((1,5- naphthyridin-4- yl)thio)imidazo[1...) Show SMILES N[C@@H]1c2ccccc2CC11CCN(CC1)c1ncc(Sc2ccnc3cccnc23)c2nccn12 |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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479340 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17-,18-,23+/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479363 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COCOC[C@@H]1CC2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C27H38N6O5S/c1-17-24(28)27(15-38-17)4-7-32(8-5-27)25-20(12-34)31-22(10-30-25)39-21-3-6-29-26-23(21)37-14-19-9-18(11-33(19)26)13-36-16-35-2/h3,6,10,17-19,24,34H,4-5,7-9,11-16,28H2,1-2H3/t17-,18+,19?,24+/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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527890 ((3S,4S)-8-(8- (benzo[d]isothiazol- 7-ylthio)imidaz...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3cccc4cnsc34)c3nccn23)[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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479341 ((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...) Show SMILES COC[C@@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r| Show InChI InChI=1S/C26H36N6O4S/c1-16-23(27)26(15-36-16)4-7-31(8-5-26)24-19(12-33)30-21(10-29-24)37-20-3-6-28-25-22(20)35-14-18-9-17(13-34-2)11-32(18)25/h3,6,10,16-18,23,33H,4-5,7-9,11-15,27H2,1-2H3/t16-,17+,18-,23+/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM527858 ((2R,4R)-4-amino-8- (8-((2,3- dichlorophenyl)thio)-...) Show SMILES Cc1nc(N2CCC3(C[C@@H](O)C[C@H]3N)CC2)n2ccnc2c1Sc1cccc(Cl)c1Cl |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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at fi...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D221SH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM479357 ((S)-1'-(5-(((6aS,8S)-8-((methoxy- methoxy)methyl)-...) Show SMILES COCOC[C@H]1C[C@H]2COc3c(Sc4cnc(cn4)N4CCC5(Cc6ncccc6[C@H]5N)CC4)ccnc3N2C1 |r| Show InChI InChI=1S/C29H35N7O3S/c1-37-18-38-16-19-11-20-17-39-26-23(4-8-32-28(26)36(20)15-19)40-25-14-33-24(13-34-25)35-9-5-29(6-10-35)12-22-21(27(29)30)3-2-7-31-22/h2-4,7-8,13-14,19-20,27H,5-6,9-12,15-18,30H2,1H3/t19-,20-,27+/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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Nikang Therapeutics, Inc. US Patent					Assay Description SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal st...				US Patent US10894797 (2021) BindingDB Entry DOI: 10.7270/Q2222XV2
					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

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