Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 1435   

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
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 [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 [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 [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 [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 [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 [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 [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 [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
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))	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 [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 [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 [K97R] (Homo sapiens (Human))	BDBM200398 (US10011599, Example 26 | US9227969, 26 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C29H26ClFN6O3/c1-17-5-8-32-28(35-17)40-18-3-4-19(22(30)11-18)20-12-21-24(13-23(20)31)33-14-25-27(21)37(16-34-25)29(2)6-9-36(10-7-29)26(39)15-38/h3-5,8,11-14,16,38H,6-7,9-10,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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))	BDBM200441 (US10011599, Example 70 | US9227969, 70 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1F Show InChI InChI=1S/C28H25F2N7O2/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	4.30	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))	BDBM323158 (US9629836, 82) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl Show InChI InChI=1S/C29H27ClFN7O3/c1-16-35-24-15-34-23-14-22(31)19(13-20(23)25(24)38(16)29(2)6-9-37(10-7-29)28(32)40)18-5-4-17(12-21(18)30)41-26-27(39)36(3)11-8-33-26/h4-5,8,11-15H,6-7,9-10H2,1-3H3,(H2,32,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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 [K97R] (Homo sapiens (Human))	BDBM200410 (US10011599, Example 38 | US9227969, 38 | US9629836...) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O Show InChI InChI=1S/C28H26FN7O3/c1-28(6-10-35(11-7-28)26(30)37)36-16-34-23-15-33-22-14-21(29)19(13-20(22)25(23)36)18-5-4-17(12-24(18)38-2)39-27-31-8-3-9-32-27/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H2,30,37)	PDB UniProtKB/SwissProt 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 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))	BDBM200439 (US10011599, Example 68 | US9227969, 68 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-15-5-7-33-29(35-15)41-17-3-4-18(21(30)9-17)19-10-20-24(11-22(19)31)34-12-25-28(20)38(16(2)36-25)26-6-8-37(13-23(26)32)27(40)14-39/h3-5,7,9-12,23,26,39H,6,8,13-14H2,1-2H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	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))	BDBM200372 (US10011599, Example 1A | US9227969, 1A | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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 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))	BDBM200435 (US10011599, Example 64 | US9227969, 64 | US9629836...) Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C27H23ClFN7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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))	BDBM323164 (US10011599, Example 88 | US9629836, 88) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC4F)C(=O)CO)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H26F2N6O4/c1-16-35-24-13-34-23-12-21(30)19(18-5-4-17(10-26(18)40-2)41-29-32-7-3-8-33-29)11-20(23)28(24)37(16)25-6-9-36(14-22(25)31)27(39)15-38/h3-5,7-8,10-13,22,25,38H,6,9,14-15H2,1-2H3/t22?,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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))	BDBM200426 (US10011599, Example 87 | US9227969, 53 | US9227969...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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))	BDBM200426 (US10011599, Example 87 | US9227969, 53 | US9227969...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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))	BDBM323157 (US9629836, 81) Show SMILES C[C@H](O)C(=O)N1CCC(C)(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2cccn(C)c2=O)cc1Cl |r| Show InChI InChI=1S/C32H31ClFN5O4/c1-18(40)30(41)38-12-9-32(3,10-13-38)39-19(2)36-27-17-35-26-16-25(34)22(15-23(26)29(27)39)21-8-7-20(14-24(21)33)43-28-6-5-11-37(4)31(28)42/h5-8,11,14-18,40H,9-10,12-13H2,1-4H3/t18-/m0/s1	PDB UniProtKB/SwissProt 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 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))	BDBM200386 (US10011599, Example 14 | US9227969, 14 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H24ClFN6O3/c1-16-34-25-14-33-24-13-23(30)20(19-4-3-18(11-22(19)29)39-28-31-7-2-8-32-28)12-21(24)27(25)36(16)17-5-9-35(10-6-17)26(38)15-37/h2-4,7-8,11-14,17,37H,5-6,9-10,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	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))	BDBM200466 (US10011599, Example 95 | US9227969, 95 | US9629836...) Show SMILES C[C@H](O)C(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-15(39)28(40)37-9-6-26(23(32)14-37)38-16(2)36-25-13-35-24-12-22(31)19(11-20(24)27(25)38)18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29/h3-5,7-8,10-13,15,23,26,39H,6,9,14H2,1-2H3/t15-,23-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	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))	BDBM200434 (US10011599, Example 63 | US9227969, 63 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-26-15-33-25-14-24(32)21(13-22(25)29(26)37(17)18-7-10-36(11-8-18)28(39)16-38)20-6-5-19(12-23(20)31)41-27-4-3-9-35(2)30(27)40/h3-6,9,12-15,18,38H,7-8,10-11,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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 [K97R] (Homo sapiens (Human))	BDBM200470 (US10011599, Example 99 | US9227969, 99 | US9629836...) Show SMILES COc1ncnc(Oc2ccc(c(Cl)c2)-c2cc3c4n([C@H]5CCN(C[C@@H]5F)C(=O)CO)c(C)nc4cnc3cc2F)n1 |r| Show InChI InChI=1S/C28H24ClF2N7O4/c1-14-35-23-10-32-22-9-20(30)17(16-4-3-15(7-19(16)29)42-28-34-13-33-27(36-28)41-2)8-18(22)26(23)38(14)24-5-6-37(11-21(24)31)25(40)12-39/h3-4,7-10,13,21,24,39H,5-6,11-12H2,1-2H3/t21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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 [K97R] (Homo sapiens (Human))	BDBM323128 (US9629836, 52) Show SMILES COCC(=O)N1CCC([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-16-36-25-13-35-24-12-22(31)19(18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29)11-20(24)28(25)38(16)26-6-9-37(14-23(26)32)27(39)15-40-2/h3-5,7-8,10-13,23,26H,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	9	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))	BDBM200450 (US10011599, Example 79 | US9227969, 79 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1 Show InChI InChI=1S/C28H25F2N7O2/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	9.20	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))	BDBM200437 (US10011599, Example 66 | US9227969, 66 | US9629836...) Show SMILES COc1cc(C)nc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C30H28ClFN6O4/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39/h4-5,10-14,16,39H,6-9,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	BDBM200419 (US10011599, Example 46 | US9227969, 46 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(F)n2)cc1Cl Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-34-24-13-33-23-12-22(30)19(18-3-2-17(10-21(18)29)40-28-32-7-4-25(31)35-28)11-20(23)27(24)37(15)16-5-8-36(9-6-16)26(39)14-38/h2-4,7,10-13,16,38H,5-6,8-9,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	BDBM200445 (US10011599, Example 74 | US9227969, 74 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-13-32-23-11-22(30)19(10-20(23)27(24)37(15)16-5-7-36(8-6-16)28(31)39)18-4-3-17(9-21(18)29)40-25-12-26(38)35(2)14-33-25/h3-4,9-14,16H,5-8H2,1-2H3,(H2,31,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	BDBM200468 (US10011599, Example 97 | US9227969, 97 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H22ClF3N6O2/c1-15-36-24-13-35-23-11-21(31)18(17-4-3-16(9-20(17)29)40-28-33-6-2-7-34-28)10-19(23)27(24)38(15)25-5-8-37(14-22(25)32)26(39)12-30/h2-4,6-7,9-11,13,22,25H,5,8,12,14H2,1H3/t22-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM200456 (US10011599, Example 85 | US9227969, 85 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H22ClF2N7O/c1-16-36-25-14-35-24-13-22(30)19(18-4-3-17(11-21(18)29)39-28-33-7-2-8-34-28)12-20(24)27(25)38(16)26-5-9-37(10-6-32)15-23(26)31/h2-4,7-8,11-14,23,26H,5,9-10,15H2,1H3/t23?,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM200457 (US10011599, Example 86 | US9227969, 86 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)C1CCO1)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C30H25ClF2N6O3/c1-16-37-25-14-36-24-13-22(32)19(18-4-3-17(11-21(18)31)42-30-34-7-2-8-35-30)12-20(24)28(25)39(16)26-5-9-38(15-23(26)33)29(40)27-6-10-41-27/h2-4,7-8,11-14,23,26-27H,5-6,9-10,15H2,1H3/t23-,26-,27?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM200421 (US10011599, Example 48 | US9227969, 48 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl Show InChI InChI=1S/C29H25ClF2N6O3/c1-15-24(32)12-34-29(35-15)41-18-3-4-19(22(30)9-18)20-10-21-25(11-23(20)31)33-13-26-28(21)38(16(2)36-26)17-5-7-37(8-6-17)27(40)14-39/h3-4,9-13,17,39H,5-8,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM200402 (US10011599, Example 30 | US9227969, 30 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C27H23ClFN7O2/c1-15-34-24-14-33-23-13-22(29)19(18-4-3-17(11-21(18)28)38-27-31-7-2-8-32-27)12-20(23)25(24)36(15)16-5-9-35(10-6-16)26(30)37/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM323126 (US9629836, 50) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(C[C@@H]1F)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H23ClF2N6O3S/c1-15-34-24-13-33-23-12-21(29)18(17-5-4-16(10-20(17)28)39-27-31-7-3-8-32-27)11-19(23)26(24)36(15)25-6-9-35(14-22(25)30)40(2,37)38/h3-5,7-8,10-13,22,25H,6,9,14H2,1-2H3/t22-,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM200451 (US10011599, Example 80 | US9227969, 80 | US9629836...) Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1F Show InChI InChI=1S/C27H23F2N7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	BDBM200390 (US10011599, Example 18 | US9227969, 18 | US9629836...) Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1 Show InChI InChI=1S/C30H31FN6O3/c1-19-6-9-32-29(35-19)40-20-4-5-21(27(14-20)39-3)22-15-23-25(16-24(22)31)33-17-26-28(23)37(18-34-26)30(2)7-10-36(11-8-30)12-13-38/h4-6,9,14-18,38H,7-8,10-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	BDBM200380 (US10011599, Example 8 | US9227969, 8 | US9629836, ...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(=O)(=O)C1CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3S/c1-17-35-27-16-34-26-15-25(31)22(21-6-3-19(13-24(21)30)40-29-32-9-2-10-33-29)14-23(26)28(27)37(17)18-7-11-36(12-8-18)41(38,39)20-4-5-20/h2-3,6,9-10,13-16,18,20H,4-5,7-8,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM200387 (US10011599, Example 15 | US9227969, 15 | US9629836...) Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CCO)CC2)n1 Show InChI InChI=1S/C29H28ClFN6O2/c1-18-5-8-32-28(35-18)39-19-3-4-20(23(30)13-19)21-14-22-25(15-24(21)31)33-16-26-27(22)37(17-34-26)29(2)6-9-36(10-7-29)11-12-38/h3-5,8,13-17,38H,6-7,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM200462 (US10011599, Example 91 | US9227969, 91 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)COS(O)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O6S/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)43-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(38)14-42-44(39,40)41/h2-4,6-7,9-12,22,25H,5,8,13-14H2,1H3,(H,39,40,41)/t22-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	BDBM200431 (US10011599, Example 59 | US9227969, 59 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(C)nc(n2)C#N)cc1Cl Show InChI InChI=1S/C30H24ClFN8O/c1-17-11-29(38-28(15-34)36-17)41-20-3-4-21(24(31)12-20)22-13-23-26(14-25(22)32)35-16-27-30(23)40(18(2)37-27)19-5-8-39(9-6-19)10-7-33/h3-4,11-14,16,19H,5-6,8-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	BDBM323133 (US10011599, Example 57 | US9629836, 57) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(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?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM200401 (US10011599, Example 29 | US9227969, 29 | US9629836...) Show SMILES CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM200407 (US10011599, Example 35 | US9227969, 35 | US9629836...) Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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

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