Compile Data Set for Download or QSAR

Found 977 hits with Last Name = 'poddutoori' and Initial = 'r'   

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
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM478951 (2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridi...) Show SMILES C=CC(=O)N1CC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:6| Show InChI InChI=1S/C20H21N5O2/c1-2-20(27)25-8-7-15(12-25)16-6-3-13(11-21-16)9-19(26)22-18-10-17(23-24-18)14-4-5-14/h2-3,6-7,10-11,14H,1,4-5,8-9,12H2,(H2,22,23,24,26)	PDB KEGG UniProtKB/SwissProt 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
Aurigene Discovery Technologies Limited US Patent					Assay Description LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...				US Patent US10894786 (2021) BindingDB Entry DOI: 10.7270/Q2K35XRV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200424 (US10011599, Example 51 | US9227969, 51 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C29H22ClF5N6O3/c1-14-38-23-11-37-22-10-20(31)17(9-18(22)27(23)41(14)24-5-7-40(12-21(24)32)26(43)13-42)16-3-2-15(8-19(16)30)44-28-36-6-4-25(39-28)29(33,34)35/h2-4,6,8-11,21,24,42H,5,7,12-13H2,1H3/t21-,24-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200424 (US10011599, Example 51 | US9227969, 51 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C29H22ClF5N6O3/c1-14-38-23-11-37-22-10-20(31)17(9-18(22)27(23)41(14)24-5-7-40(12-21(24)32)26(43)13-42)16-3-2-15(8-19(16)30)44-28-36-6-4-25(39-28)29(33,34)35/h2-4,6,8-11,21,24,42H,5,7,12-13H2,1H3/t21-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200424 (US10011599, Example 51 | US9227969, 51 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C29H22ClF5N6O3/c1-14-38-23-11-37-22-10-20(31)17(9-18(22)27(23)41(14)24-5-7-40(12-21(24)32)26(43)13-42)16-3-2-15(8-19(16)30)44-28-36-6-4-25(39-28)29(33,34)35/h2-4,6,8-11,21,24,42H,5,7,12-13H2,1H3/t21-,24-/m0/s1	PDB UniProtKB/SwissProt 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 radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200427 (US10011599, Example 54 | US9227969, 54 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl Show InChI InChI=1S/C31H28ClFN6O3/c1-17-36-28-15-35-27-14-25(33)22(13-23(27)30(28)39(17)19-7-10-38(11-8-19)29(41)16-40)21-5-4-20(12-24(21)32)42-31-34-9-6-26(37-31)18-2-3-18/h4-6,9,12-15,18-19,40H,2-3,7-8,10-11,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200427 (US10011599, Example 54 | US9227969, 54 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl Show InChI InChI=1S/C31H28ClFN6O3/c1-17-36-28-15-35-27-14-25(33)22(13-23(27)30(28)39(17)19-7-10-38(11-8-19)29(41)16-40)21-5-4-20(12-24(21)32)42-31-34-9-6-26(37-31)18-2-3-18/h4-6,9,12-15,18-19,40H,2-3,7-8,10-11,16H2,1H3	PDB UniProtKB/SwissProt 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 radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200427 (US10011599, Example 54 | US9227969, 54 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl Show InChI InChI=1S/C31H28ClFN6O3/c1-17-36-28-15-35-27-14-25(33)22(13-23(27)30(28)39(17)19-7-10-38(11-8-19)29(41)16-40)21-5-4-20(12-24(21)32)42-31-34-9-6-26(37-31)18-2-3-18/h4-6,9,12-15,18-19,40H,2-3,7-8,10-11,16H2,1H3	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200420 (US10011599, Example 47 | US9227969, 47 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-34-25-14-33-24-13-23(31)20(19-6-5-18(11-22(19)30)40-27-4-2-3-26(32)35-27)12-21(24)29(25)37(16)17-7-9-36(10-8-17)28(39)15-38/h2-6,11-14,17,38H,7-10,15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200420 (US10011599, Example 47 | US9227969, 47 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-34-25-14-33-24-13-23(31)20(19-6-5-18(11-22(19)30)40-27-4-2-3-26(32)35-27)12-21(24)29(25)37(16)17-7-9-36(10-8-17)28(39)15-38/h2-6,11-14,17,38H,7-10,15H2,1H3	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200420 (US10011599, Example 47 | US9227969, 47 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-34-25-14-33-24-13-23(31)20(19-6-5-18(11-22(19)30)40-27-4-2-3-26(32)35-27)12-21(24)29(25)37(16)17-7-9-36(10-8-17)28(39)15-38/h2-6,11-14,17,38H,7-10,15H2,1H3	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM402212 (1-(4-(8-(2-chloro-4-((6-(hydroxymethyl)pyridin-2- ...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O4/c1-16-34-26-13-33-25-12-24(31)21(11-22(25)28(26)37(16)18-5-8-36(9-6-18)27(40)15-39)20-3-2-19(10-23(20)30)41-29-32-7-4-17(14-38)35-29/h2-4,7,10-13,18,38-39H,5-6,8-9,14-15H2,1H3	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200417 (US9227969, 44 | US9629836, 44) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-27-14-33-26-13-25(32)22(12-23(26)30(27)37(17)19-7-9-36(10-8-19)29(40)16-39)21-6-5-20(11-24(21)31)41-28-4-2-3-18(15-38)35-28/h2-6,11-14,19,38-39H,7-10,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200417 (US9227969, 44 | US9629836, 44) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-27-14-33-26-13-25(32)22(12-23(26)30(27)37(17)19-7-9-36(10-8-19)29(40)16-39)21-6-5-20(11-24(21)31)41-28-4-2-3-18(15-38)35-28/h2-6,11-14,19,38-39H,7-10,15-16H2,1H3	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200436 (US10011599, Example 65 | US9227969, 65 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1 Show InChI InChI=1S/C28H25ClFN7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200436 (US10011599, Example 65 | US9227969, 65 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1 Show InChI InChI=1S/C28H25ClFN7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200436 (US10011599, Example 65 | US9227969, 65 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1 Show InChI InChI=1S/C28H25ClFN7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200461 (US10011599, Example 90 | US9227969, 90 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r| Show InChI InChI=1S/C29H26F2N6O3/c1-16-10-18(40-29-32-7-3-8-33-29)4-5-19(16)20-11-21-24(12-22(20)30)34-13-25-28(21)37(17(2)35-25)26-6-9-36(14-23(26)31)27(39)15-38/h3-5,7-8,10-13,23,26,38H,6,9,14-15H2,1-2H3/t23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200461 (US10011599, Example 90 | US9227969, 90 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r| Show InChI InChI=1S/C29H26F2N6O3/c1-16-10-18(40-29-32-7-3-8-33-29)4-5-19(16)20-11-21-24(12-22(20)30)34-13-25-28(21)37(17(2)35-25)26-6-9-36(14-23(26)31)27(39)15-38/h3-5,7-8,10-13,23,26,38H,6,9,14-15H2,1-2H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200461 (US10011599, Example 90 | US9227969, 90 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r| Show InChI InChI=1S/C29H26F2N6O3/c1-16-10-18(40-29-32-7-3-8-33-29)4-5-19(16)20-11-21-24(12-22(20)30)34-13-25-28(21)37(17(2)35-25)26-6-9-36(14-23(26)31)27(39)15-38/h3-5,7-8,10-13,23,26,38H,6,9,14-15H2,1-2H3/t23-,26-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200465 (US10011599, Example 94 | US9227969, 94 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H22ClF2N7O2/c1-14-35-23-12-34-22-11-20(29)17(16-4-3-15(9-19(16)28)39-27-32-6-2-7-33-27)10-18(22)25(23)37(14)24-5-8-36(26(31)38)13-21(24)30/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3,(H2,31,38)/t21-,24-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200409 (US10011599, Example 37 | US9227969, 37 | US9629836...) Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O Show InChI InChI=1S/C29H28FN7O3/c1-17-6-9-32-28(35-17)40-18-4-5-19(25(12-18)39-3)20-13-21-23(14-22(20)30)33-15-24-26(21)37(16-34-24)29(2)7-10-36(11-8-29)27(31)38/h4-6,9,12-16H,7-8,10-11H2,1-3H3,(H2,31,38)	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200465 (US10011599, Example 94 | US9227969, 94 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H22ClF2N7O2/c1-14-35-23-12-34-22-11-20(29)17(16-4-3-15(9-19(16)28)39-27-32-6-2-7-33-27)10-18(22)25(23)37(14)24-5-8-36(26(31)38)13-21(24)30/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3,(H2,31,38)/t21-,24-/m0/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200409 (US10011599, Example 37 | US9227969, 37 | US9629836...) Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O Show InChI InChI=1S/C29H28FN7O3/c1-17-6-9-32-28(35-17)40-18-4-5-19(25(12-18)39-3)20-13-21-23(14-22(20)30)33-15-24-26(21)37(16-34-24)29(2)7-10-36(11-8-29)27(31)38/h4-6,9,12-16H,7-8,10-11H2,1-3H3,(H2,31,38)	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200409 (US10011599, Example 37 | US9227969, 37 | US9629836...) Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O Show InChI InChI=1S/C29H28FN7O3/c1-17-6-9-32-28(35-17)40-18-4-5-19(25(12-18)39-3)20-13-21-23(14-22(20)30)33-15-24-26(21)37(16-34-24)29(2)7-10-36(11-8-29)27(31)38/h4-6,9,12-16H,7-8,10-11H2,1-3H3,(H2,31,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200465 (US10011599, Example 94 | US9227969, 94 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H22ClF2N7O2/c1-14-35-23-12-34-22-11-20(29)17(16-4-3-15(9-19(16)28)39-27-32-6-2-7-33-27)10-18(22)25(23)37(14)24-5-8-36(26(31)38)13-21(24)30/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3,(H2,31,38)/t21-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM478952 ((E)-2-(1'-(but-2-enoyl)-1',2',5',6'-tetrahydro-[2,...) Show SMILES C\C=C\C(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:8| Show InChI InChI=1S/C22H25N5O2/c1-2-4-22(29)27-10-3-5-17(14-27)18-9-6-15(13-23-18)11-21(28)24-20-12-19(25-26-20)16-7-8-16/h2,4-6,9,12-13,16H,3,7-8,10-11,14H2,1H3,(H2,24,25,26,28)/b4-2+	PDB KEGG UniProtKB/SwissProt 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
Aurigene Discovery Technologies Limited US Patent					Assay Description LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...				US Patent US10894786 (2021) BindingDB Entry DOI: 10.7270/Q2K35XRV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200403 (US10011599, Example 31 | US9227969, 31 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200430 (US9227969, 58) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)C[C@@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM323134 (US10011599, Example 58 | US9629836, 58) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24?,27-/m0/s1	PDB UniProtKB/SwissProt 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 radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200403 (US10011599, Example 31 | US9227969, 31 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB UniProtKB/SwissProt 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 radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM478281 (2-(1'-acryloyl-1',2',3',6'-tetrahydro-[2,4'-bipyri...) Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:22| Show InChI	PDB KEGG UniProtKB/SwissProt 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
Aurigene Discovery Technologies Limited US Patent					Assay Description LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...				US Patent US10894786 (2021) BindingDB Entry DOI: 10.7270/Q2K35XRV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM323134 (US10011599, Example 58 | US9629836, 58) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24?,27-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM478782 ((Isomer-1 of compound-35): 2-(1''-acryloyl-1'',2''...) Show SMILES CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |w:1.0,t:22| Show InChI	PDB KEGG UniProtKB/SwissProt 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
Aurigene Discovery Technologies Limited US Patent					Assay Description LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...				US Patent US10894786 (2021) BindingDB Entry DOI: 10.7270/Q2K35XRV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200403 (US10011599, Example 31 | US9227969, 31 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200444 (US10011599, Example 73 | US9227969, 73 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-34-25-15-33-24-14-23(31)20(13-21(24)27(25)37(16)17-7-10-36(11-8-17)29(32)39)19-6-5-18(12-22(19)30)40-26-4-3-9-35(2)28(26)38/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200444 (US10011599, Example 73 | US9227969, 73 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-34-25-15-33-24-14-23(31)20(13-21(24)27(25)37(16)17-7-10-36(11-8-17)29(32)39)19-6-5-18(12-22(19)30)40-26-4-3-9-35(2)28(26)38/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200444 (US10011599, Example 73 | US9227969, 73 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-34-25-15-33-24-14-23(31)20(13-21(24)27(25)37(16)17-7-10-36(11-8-17)29(32)39)19-6-5-18(12-22(19)30)40-26-4-3-9-35(2)28(26)38/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200400 (US10011599, Example 28 | US9227969, 28 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200400 (US10011599, Example 28 | US9227969, 28 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200433 (US9227969, 62) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)C[C@@H]4F)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM323138 (US10011599, Example 62 | US9629836, 62) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)CC4F)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23?,26-/m0/s1	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200400 (US10011599, Example 28 | US9227969, 28 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM323138 (US10011599, Example 62 | US9629836, 62) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)CC4F)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23?,26-/m0/s1	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200446 (US10011599, Example 75 | US9227969, 75 | US9629836...) Show SMILES Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O Show InChI InChI=1S/C29H26ClFN6O3/c1-29(7-10-36(11-8-29)28(32)39)37-16-34-24-15-33-23-14-22(31)19(13-20(23)26(24)37)18-6-5-17(12-21(18)30)40-25-4-3-9-35(2)27(25)38/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB MMDB 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
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200446 (US10011599, Example 75 | US9227969, 75 | US9629836...) Show SMILES Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O Show InChI InChI=1S/C29H26ClFN6O3/c1-29(7-10-36(11-8-29)28(32)39)37-16-34-24-15-33-23-14-22(31)19(13-20(23)26(24)37)18-6-5-17(12-21(18)30)40-25-4-3-9-35(2)27(25)38/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB UniProtKB/SwissProt 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
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200446 (US10011599, Example 75 | US9227969, 75 | US9629836...) Show SMILES Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O Show InChI InChI=1S/C29H26ClFN6O3/c1-29(7-10-36(11-8-29)28(32)39)37-16-34-24-15-33-23-14-22(31)19(13-20(23)26(24)37)18-6-5-17(12-21(18)30)40-25-4-3-9-35(2)27(25)38/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H2,32,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13 (Homo sapiens (Human))	BDBM478947 (2-(1'-acryloyl-1',2',5',6'-tetrahydro-[2,3'-bipyri...) Show SMILES C=CC(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:7| Show InChI InChI=1S/C21H23N5O2/c1-2-21(28)26-9-3-4-16(13-26)17-8-5-14(12-22-17)10-20(27)23-19-11-18(24-25-19)15-6-7-15/h2,4-5,8,11-12,15H,1,3,6-7,9-10,13H2,(H2,23,24,25,27)	PDB KEGG UniProtKB/SwissProt 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
Aurigene Discovery Technologies Limited US Patent					Assay Description LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold...				US Patent US10894786 (2021) BindingDB Entry DOI: 10.7270/Q2K35XRV
					More data for this Ligand-Target Pair

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