Compile Data Set for Download or QSAR

Found 907 hits with Last Name = 'perez' and Initial = 'lb'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
SH2B adapter protein 2 (Human)	BDBM484440 (US10934285, Example 24) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H33ClN8O3S/c29-22-16(33-24(38)21-25(39)35-19-8-1-2-12-37(19)27(21)40)5-3-6-17(22)41-26-23(31)34-20(15-32-26)36-13-10-28(11-14-36)9-4-7-18(28)30/h3,5-6,15,18,39H,1-2,4,7-14,30H2,(H2,31,34)(H,33,38)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146964 (US8957074, 3) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1 Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-18-14-30-27(32-24(18)35(22)20-7-5-3-4-6-8-20)31-23-10-9-17(13-29-23)25(36)34-16-19-12-21(34)15-28-19/h9-11,13-14,19-21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484457 (US10934285, Example 43) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1nnc(Sc2cccc(NC(=O)c3c(O)nc4CCCCn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C27H32ClN9O3S/c28-20-15(31-22(38)19-23(39)32-18-8-1-2-12-37(18)25(19)40)5-3-6-16(20)41-24-21(30)33-26(35-34-24)36-13-10-27(11-14-36)9-4-7-17(27)29/h3,5-6,17,39H,1-2,4,7-14,29H2,(H,31,38)(H2,30,33,35)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484469 (US10934285, Example 55) Show SMILES CCC1N(C)C(=O)C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)=C1O |c:36| Show InChI InChI=1S/C24H30ClN7O3S/c1-4-14-19(33)17(23(35)31(14)3)21(34)29-13-6-5-7-15(18(13)25)36-22-20(26)30-16(12-28-22)32-10-8-24(2,27)9-11-32/h5-7,12,14,33H,4,8-11,27H2,1-3H3,(H2,26,30)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484472 (US10934285, Example 59) Show SMILES CN1C(=O)C(C(=O)Nc2cccc(Sc3ncc(nc3N)N3CCC(C)(N)CC3)c2Cl)=C(O)C1(C)C |t:33| Show InChI InChI=1S/C24H30ClN7O3S/c1-23(2)18(33)16(22(35)31(23)4)20(34)29-13-6-5-7-14(17(13)25)36-21-19(26)30-15(12-28-21)32-10-8-24(3,27)9-11-32/h5-7,12,33H,8-11,27H2,1-4H3,(H2,26,30)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484421 (US10934285, Example 5) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4cnccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C25H26ClN9O3S/c1-25(13-27)5-8-34(9-6-25)16-12-30-23(20(28)32-16)39-15-4-2-3-14(19(15)26)31-21(36)18-22(37)33-17-11-29-7-10-35(17)24(18)38/h2-4,7,10-12,37H,5-6,8-9,13,27H2,1H3,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484461 (US10934285, Example 47) Show SMILES CC1(N)CCN(CC1)c1nc2ccc(Sc3cccc(NC(=O)C4=C(O)CN(C4=O)c4ccccc4)c3Cl)nc2[nH]1 |c:24| Show InChI InChI=1S/C29H28ClN7O3S/c1-29(31)12-14-36(15-13-29)28-33-19-10-11-22(34-25(19)35-28)41-21-9-5-8-18(24(21)30)32-26(39)23-20(38)16-37(27(23)40)17-6-3-2-4-7-17/h2-11,38H,12-16,31H2,1H3,(H,32,39)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484466 (US10934285, Example 52) Show SMILES CC1(N)CCN(CC1)c1nnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:22| Show InChI InChI=1S/C26H27ClN8O3S/c1-26(29)10-12-34(13-11-26)25-31-21(28)23(32-33-25)39-18-9-5-8-16(20(18)27)30-22(37)19-17(36)14-35(24(19)38)15-6-3-2-4-7-15/h2-9,36H,10-14,29H2,1H3,(H,30,37)(H2,28,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147083 (US8957074, 123) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-11-16-13-28-26(31-24(16)34(21)19-5-3-4-6-19)30-22-10-9-20(14-27-22)33-15-18-8-7-17(29-18)12-23(33)35/h9-11,13-14,17-19,29H,3-8,12,15H2,1-2H3,(H,27,28,30,31)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146997 (US8957074, 36) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C28H34N8O2/c1-34(2)27(38)23-11-19-13-30-28(33-25(19)36(23)22-10-16-3-4-17(22)9-16)32-24-8-5-18(12-29-24)26(37)35-14-20-6-7-21(15-35)31-20/h5,8,11-13,16-17,20-22,31H,3-4,6-7,9-10,14-15H2,1-2H3,(H,29,30,32,33)/t16-,17+,20?,21?,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147015 (US8957074, 54) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1cccc(c1)C(C)(C)C |TLB:18:20:27:23.24| Show InChI InChI=1S/C31H36N8O2/c1-31(2,3)21-7-6-8-24(14-21)39-25(29(41)37(4)5)13-20-16-33-30(36-27(20)39)35-26-12-9-19(15-32-26)28(40)38-17-22-10-11-23(18-38)34-22/h6-9,12-16,22-23,34H,10-11,17-18H2,1-5H3,(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147027 (US8957074, 67) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCC1 Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-17-13-29-26(31-23(17)34(21)19-6-4-3-5-7-19)30-22-9-8-16(12-28-22)24(35)33-15-18-11-20(33)14-27-18/h8-10,12-13,18-20,27H,3-7,11,14-15H2,1-2H3,(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147041 (US8957074, 83) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCCCC1 |r| Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-17-13-30-27(32-24(17)35(22)19-7-5-3-4-6-8-19)31-23-10-9-20(14-29-23)34-16-18-12-28-15-21(18)25(34)36/h9-11,13-14,18-19,21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)/t18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147049 (US8957074, 89) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r| Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)/t18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM50420304 (CHEMBL2089065 | US8598217, 165) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147014 (US8957074, 53) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C |TLB:18:20:27:23.24| Show InChI InChI=1S/C31H36N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6-8,11-16,22-23,34H,9-10,17-18H2,1-5H3,(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146965 (US8957074, 4) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCCC1 Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-13-19-15-30-28(33-25(19)36(23)22-7-5-3-4-6-8-22)32-24-12-9-18(14-29-24)26(37)35-16-20-10-11-21(17-35)31-20/h9,12-15,20-22,31H,3-8,10-11,16-17H2,1-2H3,(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					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
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))	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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146970 (US8957074, 9) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNC(C4)C3)nc2n1C1CCCC1 Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-18-13-29-26(31-23(18)34(21)20-5-3-4-6-20)30-22-8-7-17(12-28-22)24(35)33-14-16-9-19(15-33)27-11-16/h7-8,10,12-13,16,19-20,27H,3-6,9,11,14-15H2,1-2H3,(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<4	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147091 (US8957074, 131) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCCC1 Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h10-12,14-15,18-20,30H,3-9,13,16H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147042 (US8957074, 82) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCCCC1 |r| Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-17-13-30-27(32-24(17)35(22)19-7-5-3-4-6-8-19)31-23-10-9-20(14-29-23)34-16-18-12-28-15-21(18)25(34)36/h9-11,13-14,18-19,21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)/t18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107751 (CHEMBL2089063 | US8598217, 89) Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107755 (US8598217, 140) Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2[nH]ccc12 Show InChI InChI=1S/C28H26N8O/c1-35(2)19-8-11-36(12-9-19)25-6-5-23-27(33-25)34-28(32-23)26(37)17-3-4-18(14-29)21(13-17)22-15-30-16-24-20(22)7-10-31-24/h3-7,10,13,15-16,19,31H,8-9,11-12H2,1-2H3,(H,32,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484467 (US10934285, Example 53) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(NC(=O)C3=C(O)CN(C3=O)c3ccccc3)c2Cl)c(N)n1 |c:22| Show InChI InChI=1S/C27H28ClN7O3S/c1-27(30)10-12-34(13-11-27)20-14-31-25(23(29)33-20)39-19-9-5-8-17(22(19)28)32-24(37)21-18(36)15-35(26(21)38)16-6-3-2-4-7-16/h2-9,14,36H,10-13,15,30H2,1H3,(H2,29,33)(H,32,37)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484429 (US10934285, Example 13) Show SMILES Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl)N1CCC(N)(CF)CC1 Show InChI InChI=1S/C25H24ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(28)32-17(12-30-23)34-10-7-25(29,13-27)8-11-34/h1-6,9,12,37H,7-8,10-11,13,29H2,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50422364 (TRAPOXIN B) Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1 Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484422 (US10934285, Example 6) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4[nH]ccn4c3=O)c2Cl)c(N)n1 Show InChI InChI=1S/C24H26ClN9O3S/c1-24(12-26)5-8-33(9-6-24)15-11-29-21(18(27)31-15)38-14-4-2-3-13(17(14)25)30-19(35)16-20(36)32-23-28-7-10-34(23)22(16)37/h2-4,7,10-11,36H,5-6,8-9,12,26H2,1H3,(H2,27,31)(H,28,32)(H,30,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146971 (US8957074, 10) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CN[C@@H](C4)C3)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-18-13-29-26(31-23(18)34(21)20-5-3-4-6-20)30-22-8-7-17(12-28-22)24(35)33-14-16-9-19(15-33)27-11-16/h7-8,10,12-13,16,19-20,27H,3-6,9,11,14-15H2,1-2H3,(H,28,29,30,31)/t16-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146963 (US8957074, 2) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCCCC1 |r,TLB:18:20:24.23.25:28,29:28:24.23.25:20.21.27| Show InChI InChI=1S/C29H38N8O3/c1-35(2)28(40)23-11-19-15-32-29(34-26(19)37(23)22-7-5-3-4-6-8-22)33-24-10-9-18(14-31-24)27(39)36-16-20-12-30-13-21(17-36)25(20)38/h9-11,14-15,20-22,25,30,38H,3-8,12-13,16-17H2,1-2H3,(H,31,32,33,34)/t20-,21+,25?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Oryctolagus cuniculus (Rabbit))	BDBM107761 (US8598217, 174) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)15(22)12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11H,6-9H2,1-3H3,(H,18,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Astex Therapeutics Ltd.; Novartis AG US Patent					Assay Description A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...				US Patent US8598217 (2013) BindingDB Entry DOI: 10.7270/Q2BG2MN8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147053 (US8957074, 93) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r| Show InChI InChI=1S/C29H38N8O2/c1-34(2)28(39)24-12-19-14-31-29(33-27(19)37(24)22-8-6-4-5-7-9-22)32-25-11-10-23(15-30-25)36-18-21-17-35(3)16-20(21)13-26(36)38/h10-12,14-15,20-22H,4-9,13,16-18H2,1-3H3,(H,30,31,32,33)/t20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147050 (US8957074, 90) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCC1 Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484439 (US10934285, Example 23) Show SMILES N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2cccc(NC(=O)c3c(O)nc4ccccn4c3=O)c2Cl)c(N)n1 |r| Show InChI InChI=1S/C28H29ClN8O3S/c29-22-16(33-24(38)21-25(39)35-19-8-1-2-12-37(19)27(21)40)5-3-6-17(22)41-26-23(31)34-20(15-32-26)36-13-10-28(11-14-36)9-4-7-18(28)30/h1-3,5-6,8,12,15,18,39H,4,7,9-11,13-14,30H2,(H2,31,34)(H,33,38)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair
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
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147087 (US8957074, 127) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N Show InChI InChI=1S/C31H33N9O2/c1-31(2,18-32)20-5-9-23(10-6-20)40-25(29(42)38(3)4)13-19-15-34-30(37-28(19)40)36-26-12-11-24(16-33-26)39-17-22-8-7-21(35-22)14-27(39)41/h5-6,9-13,15-16,21-22,35H,7-8,14,17H2,1-4H3,(H,33,34,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147093 (US8957074, 133) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCCC1 |r| Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h10-12,14-15,18-20,30H,3-9,13,16H2,1-2H3,(H,28,29,31,32)/t18-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM47154 (US8957074, 81) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)| Show InChI InChI=1S/C31H42N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6,13-16,21-24,34H,7-12,17-18H2,1-5H3,(H,32,33,35,36)/t21-,22?,23?,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147044 (US8957074, 84 | US8957074, 86) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147047 (US8957074, 87) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1 Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147048 (US8957074, 88) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCCCC1 |r| Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147044 (US8957074, 84 | US8957074, 86) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147031 (US8957074, 71) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)/t19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147026 (US8957074, 66) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCC1 Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-18-14-29-27(32-24(18)35(22)21-6-4-3-5-7-21)31-23-11-8-17(13-28-23)25(36)34-15-19-9-10-20(16-34)30-19/h8,11-14,19-21,30H,3-7,9-10,15-16H2,1-2H3,(H,28,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM147100 (US8957074, 140) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21| Show InChI InChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-17-14-29-27(31-25(17)35(22)18-6-4-5-7-18)30-23-11-10-20(15-28-23)34-16-21-9-8-19(33(21)3)13-24(34)36/h10-12,14-15,18-19,21H,4-9,13,16H2,1-3H3,(H,28,29,30,31)/t19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM146998 (US8957074, 37) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(3.47,1.95,;4.24,3.29,;5.78,3.29,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.71,-4.03,;-2.26,-5.02,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)| Show InChI InChI=1S/C31H42N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6,13-16,21-24,34H,7-12,17-18H2,1-5H3,(H,32,33,35,36)/t21-,22?,23?,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	7.5	22
Novartis AG US Patent					Assay Description An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
					More data for this Ligand-Target Pair
SH2B adapter protein 2 (Human)	BDBM484430 (US10934285, Example 14) Show SMILES Nc1nc(cnc1Sc1cccc(NC(=O)c2c(O)nc3CCCCn3c2=O)c1Cl)N1CCC(N)(CF)CC1 Show InChI InChI=1S/C25H28ClFN8O3S/c26-19-14(31-21(36)18-22(37)33-16-6-1-2-9-35(16)24(18)38)4-3-5-15(19)39-23-20(28)32-17(12-30-23)34-10-7-25(29,13-27)8-11-34/h3-5,12,37H,1-2,6-11,13,29H2,(H2,28,32)(H,31,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.5 nM of ...				US Patent US10934285 (2021) BindingDB Entry DOI: 10.7270/Q2MK6H10
					More data for this Ligand-Target Pair

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