Compile Data Set for Download or QSAR

Found 1536 hits with Last Name = 'toure' and Initial = 'b'   

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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191194 (US9181266, 63) Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3 Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50531540 (CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...) Show SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O Show InChI InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MEK in human KYSE-520 cells assessed as reduction in p-ERK levels				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01170 BindingDB Entry DOI: 10.7270/Q2CC14BB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191195 (US9181266, 64) Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC(F)F)Cc1nc2CCOCc2c(=O)[nH]1)CC3 Show InChI InChI=1S/C26H30F2N4O5/c1-36-17-2-3-18-16(10-17)11-26(24(18)34)5-7-31(8-6-26)14-23(33)32(12-21(27)28)13-22-29-20-4-9-37-15-19(20)25(35)30-22/h2-3,10,21H,4-9,11-15H2,1H3,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185805 (US9163003, 13 | USRE46942, Example 13) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185805 (US9163003, 13 | USRE46942, Example 13) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					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))	BDBM408094 (US10336774, Example 88) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3cc(N)nc(Cl)c3Cl)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C18H23Cl2N7OS/c1-9-14(22)18(8-28-9)2-4-27(5-3-18)12-7-24-17(16(23)26-12)29-10-6-11(21)25-15(20)13(10)19/h6-7,9,14H,2-5,8,22H2,1H3,(H2,21,25)(H2,23,26)/t9-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408096 (US10336774, Example 90) Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23Cl2N7OS/c19-14-10(6-12(22)25-15(14)20)29-17-16(23)26-13(8-24-17)27-3-1-18(2-4-27)7-9(28)5-11(18)21/h6,8-9,11,28H,1-5,7,21H2,(H2,22,25)(H2,23,26)/t9-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191193 (US9181266, 62) Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3 Show InChI InChI=1S/C27H31FN4O4/c28-19-3-4-20-18(11-19)12-27(25(20)34)6-8-31(9-7-27)15-24(33)32(13-17-1-2-17)14-23-29-22-5-10-36-16-21(22)26(35)30-23/h3-4,11,17H,1-2,5-10,12-16H2,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408075 (US10336774, Example 60) Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C19H24Cl2N6OS/c1-28-11-8-13(22)19(9-11)3-6-27(7-4-19)14-10-25-18(17(23)26-14)29-12-2-5-24-16(21)15(12)20/h2,5,10-11,13H,3-4,6-9,22H2,1H3,(H2,23,26)/t11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408073 (US10336774, Example 58) Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H22Cl2N6OS/c19-14-11(1-4-23-15(14)20)28-17-16(22)25-13(9-24-17)26-5-2-18(3-6-26)8-10(27)7-12(18)21/h1,4,9-10,12,27H,2-3,5-8,21H2,(H2,22,25)/t10-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM404370 (2-{(S)-3-[4-(4-Methoxy-benzoyl)-piperidin-1-yl]-2-...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2cc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185818 (US9163003, 30) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191199 (US9181266, 68) Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H28F2N4O4/c25-20(26)12-30(13-21-27-19-8-11-34-15-18(19)24(33)28-21)22(31)14-29-9-6-17(7-10-29)23(32)16-4-2-1-3-5-16/h1-5,17,20H,6-15H2,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408086 (US10336774, Example 77) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(F)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H22ClFN6S/c19-14-11(3-7-23-15(14)20)27-17-16(22)25-13(10-24-17)26-8-5-18(6-9-26)4-1-2-12(18)21/h3,7,10,12H,1-2,4-6,8-9,21H2,(H2,22,25)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM185805 (US9163003, 13 | USRE46942, Example 13) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408058 (US10336774, Example 43) Show SMILES N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191219 (US9181266, 88) Show SMILES COCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H32N4O6/c1-33-12-13-35-19-4-2-17(3-5-19)24(31)18-6-9-29(10-7-18)15-23(30)26-14-22-27-21-8-11-34-16-20(21)25(32)28-22/h2-5,18H,6-16H2,1H3,(H,26,30)(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185802 (US9163003, 10 | USRE46942, Example 10) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50439791 (CHEMBL2419706 | US9181266, 5) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM185805 (US9163003, 13 | USRE46942, Example 13) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185802 (US9163003, 10 | USRE46942, Example 10) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408067 (US10336774, Example 52) Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C17H22ClN7OS/c18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19/h1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01170 BindingDB Entry DOI: 10.7270/Q2CC14BB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185816 (US9163003, 28 | USRE46942, Example 28) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408057 (US10336774, Example 42) Show SMILES N[C@@H]1C[C@H](O)CC11CCN(CC1)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C19H23F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)30-17-16(24)27-14(10-26-17)28-6-3-18(4-7-28)9-11(29)8-13(18)23/h1-2,5,10-11,13,29H,3-4,6-9,23H2,(H2,24,27)/t11-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408067 (US10336774, Example 52) Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C17H22ClN7OS/c18-13-10(1-4-22-14(13)20)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)19/h1,4,7,11H,2-3,5-6,8-9,19H2,(H2,20,22)(H2,21,24)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408076 (US10336774, Example 61) Show SMILES C[C@@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C20H25F3N6S/c1-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)30-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408078 (US10336774, Example 63) Show SMILES N[C@@H]1COCC11CCN(CC1)c1cnc(Sc2ccnc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C17H20Cl2N6OS/c18-13-10(1-4-22-14(13)19)27-16-15(21)24-12(7-23-16)25-5-2-17(3-6-25)9-26-8-11(17)20/h1,4,7,11H,2-3,5-6,8-9,20H2,(H2,21,24)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185816 (US9163003, 28 | USRE46942, Example 28) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191141 (US9181266, 2) Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C22H25ClN4O4/c23-16-3-1-14(2-4-16)21(29)15-5-8-27(9-6-15)12-20(28)24-11-19-25-18-7-10-31-13-17(18)22(30)26-19/h1-4,15H,5-13H2,(H,24,28)(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50439799 (CHEMBL2419698 | US9181266, 13) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146458 (US8957068, 590) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H30FN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146444 (US8957068, 573) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(F)c2)n1 |r| Show InChI InChI=1S/C25H32FN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/t16-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.86	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408097 (US10336774, Example 91) Show SMILES N[C@@H]1C[C@H](F)CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23ClFN7S/c19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191201 (US9181266, 70) Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C27H31F3N4O5/c28-27(29,30)39-20-5-3-18(4-6-20)25(36)19-7-10-33(11-8-19)15-24(35)34(13-17-1-2-17)14-23-31-22-9-12-38-16-21(22)26(37)32-23/h3-6,17,19H,1-2,7-16H2,(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191192 (US9181266, 61) Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)NCc1nc2CCOCc2c(=O)[nH]1)CC3 Show InChI InChI=1S/C23H25FN4O4/c24-15-1-2-16-14(9-15)10-23(21(16)30)4-6-28(7-5-23)12-20(29)25-11-19-26-18-3-8-32-13-17(18)22(31)27-19/h1-2,9H,3-8,10-13H2,(H,25,29)(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146403 (US8957068, 531) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)n1 |r| Show InChI InChI=1S/C25H32ClN5O3/c1-15(2)21-14-34-25(33)31(21)22-11-12-27-24(30-22)28-16(3)17-9-10-19(20(26)13-17)23(32)29-18-7-5-4-6-8-18/h9-13,15-16,18,21H,4-8,14H2,1-3H3,(H,29,32)(H,27,28,30)/t16-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.12	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146402 (US8957068, 530) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCCC3)c(Cl)c2)n1 |r| Show InChI InChI=1S/C24H30ClN5O3/c1-14(2)20-13-33-24(32)30(20)21-10-11-26-23(29-21)27-15(3)16-8-9-18(19(25)12-16)22(31)28-17-6-4-5-7-17/h8-12,14-15,17,20H,4-7,13H2,1-3H3,(H,28,31)(H,26,27,29)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.35	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185825 (US9163003, 16 | USRE46942, Example 17) Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<8.60	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185826 (US9163003, 17 | USRE46942, Example 16) Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<8.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191197 (US9181266, 66) Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM60784 (US9163003, 19) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCCN(CCC2NC(=O)C3=C(CCOC3)N2)C1=O |r,t:29| Show InChI InChI=1S/C27H36N4O5/c1-35-20-6-4-18(5-7-20)25(32)19-8-13-30(14-9-19)23-3-2-12-31(27(23)34)15-10-24-28-22-11-16-36-17-21(22)26(33)29-24/h4-7,19,23-24,28H,2-3,8-17H2,1H3,(H,29,33)/t23-,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191170 (US9181266, 39) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2nc3CCOCc3c(=O)[nH]2)Cc2ccccc2F)CC1 Show InChI InChI=1S/C29H30F2N4O4/c30-22-7-5-19(6-8-22)28(37)20-9-12-34(13-10-20)17-27(36)35(15-21-3-1-2-4-24(21)31)16-26-32-25-11-14-39-18-23(25)29(38)33-26/h1-8,20H,9-18H2,(H,32,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408071 (US10336774, Example 56) Show SMILES C[C@@H]1CCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r| Show InChI InChI=1S/C19H26ClN7S/c1-11-2-4-19(15(11)21)5-8-27(9-6-19)13-10-25-18(17(23)26-13)28-12-3-7-24-16(22)14(12)20/h3,7,10-11,15H,2,4-6,8-9,21H2,1H3,(H2,22,24)(H2,23,26)/t11-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408063 (US10336774, Example 48) Show SMILES CO[C@H]1C[C@@H](N)C2(C1)CCN(CC2)c1cnc(Sc2cccnc2C(F)(F)F)c(N)n1 |r| Show InChI InChI=1S/C20H25F3N6OS/c1-30-12-9-14(24)19(10-12)4-7-29(8-5-19)15-11-27-18(17(25)28-15)31-13-3-2-6-26-16(13)20(21,22)23/h2-3,6,11-12,14H,4-5,7-10,24H2,1H3,(H2,25,28)/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM404359 (USRE46942, Example 19) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM408093 (US10336774, Example 87) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cc(N)nc(Cl)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C18H23Cl2N7S/c19-14-10(8-12(22)25-15(14)20)28-17-16(23)26-13(9-24-17)27-6-4-18(5-7-27)3-1-2-11(18)21/h8-9,11H,1-7,21H2,(H2,22,25)(H2,23,26)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...				US Patent US10336774 (2019) BindingDB Entry DOI: 10.7270/Q2BR8VJV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM185818 (US9163003, 30) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9163003 (2015) BindingDB Entry DOI: 10.7270/Q2QN65J6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM185795 (US9163003, 3 | USRE46942, Example 3) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM404370 (2-{(S)-3-[4-(4-Methoxy-benzoyl)-piperidin-1-yl]-2-...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2cc3ccccc(=O)c3[nH]2)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent USRE46942 (2018) BindingDB Entry DOI: 10.7270/Q2VX0JVH
					More data for this Ligand-Target Pair

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