Compile Data Set for Download or QSAR

Found 101 hits of ic50 for UniProtKB: P28482   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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/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/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/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/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/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/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))	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
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))	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/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/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/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
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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))	BDBM200453 (US10011599, Example 82 | US9227969, 82) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-14-33-23-13-22(30)19(12-20(23)25(24)37(15)16-5-8-36(9-6-16)28(31)39)18-4-3-17(11-21(18)29)40-26-27(38)35(2)10-7-32-26/h3-4,7,10-14,16H,5-6,8-9H2,1-2H3,(H2,31,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	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/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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))	BDBM200459 (US9227969, 88) Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(C[C@@H]4F)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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	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))	BDBM200452 (US10011599, Example 81 | US9227969, 81) Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2cccn(C)c2=O)cc1Cl |r| Show InChI InChI=1S/C31H29ClFN5O4/c1-17(39)30(40)37-11-8-19(9-12-37)38-18(2)35-27-16-34-26-15-25(33)22(14-23(26)29(27)38)21-7-6-20(13-24(21)32)42-28-5-4-10-36(3)31(28)41/h4-7,10,13-17,19,39H,8-9,11-12H2,1-3H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200425 (US10011599, Example 52 | US9227969, 52) Show SMILES COCC(=O)N1CC[C@@H]([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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM200423 (US10011599, Example 50 | US9227969, 50) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM200471 (US9227969, 57) 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+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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

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