Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'tandeske' and Initial = 'l'   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202656 (US10245267, Example 1 | US10709712, Example 1 | US...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202686 (US10245267, Example 31 | US10709712, Example 31 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(NCCO)n1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-5-6-19(30-23(35)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(33-8-11-36-12-9-33)32-24(31-21)29-7-10-34/h2-6,13-15,34H,7-12H2,1H3,(H,30,35)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452152 (CHEMBL4217462) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(C)(C)C)ccc1C Show InChI InChI=1S/C27H28N4O2/c1-17-9-11-22(29-26(33)19-7-6-8-21(13-19)27(3,4)5)14-23(17)20-10-12-25-30-24(28-18(2)32)16-31(25)15-20/h6-16H,1-5H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452150 (CHEMBL4216386) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(Cl)c2)ccc1C Show InChI InChI=1S/C23H19ClN4O2/c1-14-6-8-19(26-23(30)16-4-3-5-18(24)10-16)11-20(14)17-7-9-22-27-21(25-15(2)29)13-28(22)12-17/h3-13H,1-2H3,(H,25,29)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM87998 (US10245267, Example 1029 | US10709712, Example 103...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@H]2CCOC[C@H]2F)c(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H28F4N4O4/c1-17-22(13-21(15-33-17)35-26(37)18-3-2-4-20(11-18)28(30,31)32)19-12-24(36-6-9-38-10-7-36)27(34-14-19)40-25-5-8-39-16-23(25)29/h2-4,11-15,23,25H,5-10,16H2,1H3,(H,35,37)/t23-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM84365 (US10245267, Example 636 | US10709712, Example 636 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h2-4,13-16,21H,5-12H2,1H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full-length BRAF (unknown origin)				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM202784 (US10245267, Example 131 | US10709712, Example 131 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full-length BRAF (unknown origin)				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202784 (US10245267, Example 131 | US10709712, Example 131 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50510891 (CHEMBL4455996) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-2-3-19(31-24(35)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(30-6-9-34)32-23(14-18)33-7-10-36-11-8-33/h2-5,12-15,34H,6-11H2,1H3,(H,30,32)(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88006 (US10245267, Example 1041 | US10709712, Example 104...) Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H28F2N6O3/c1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452147 (CHEMBL4204192) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C Show InChI InChI=1S/C23H18F3N5O2/c1-13-3-5-17(29-22(33)19-9-16(7-8-27-19)23(24,25)26)10-18(13)15-4-6-21-30-20(28-14(2)32)12-31(21)11-15/h3-12H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50510890 (CHEMBL4593446) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O)c(c1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O3/c1-14-19(16-10-20(22(32)28-12-16)30-5-7-33-8-6-30)11-18(13-27-14)29-21(31)15-3-2-4-17(9-15)23(24,25)26/h2-4,9-13H,5-8H2,1H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202839 (US10245267, Example 640 | US10709712, Example 191 ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 Show InChI InChI=1S/C26H28N6O3/c1-17-5-6-19(29-24(33)18-7-8-28-23(13-18)26(2,3)16-27)14-20(17)21-15-22(25(34)31(4)30-21)32-9-11-35-12-10-32/h5-8,13-15H,9-12H2,1-4H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50510889 (CHEMBL4475855) Show SMILES CO[C@H]1COCC[C@@H]1Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C |r| Show InChI InChI=1S/C29H31F3N4O5/c1-18-23(14-22(16-33-18)35-27(37)19-4-3-5-21(12-19)29(30,31)32)20-13-24(36-7-10-39-11-8-36)28(34-15-20)41-25-6-9-40-17-26(25)38-2/h3-5,12-16,25-26H,6-11,17H2,1-2H3,(H,35,37)/t25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452152 (CHEMBL4217462) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(C)(C)C)ccc1C Show InChI InChI=1S/C27H28N4O2/c1-17-9-11-22(29-26(33)19-7-6-8-21(13-19)27(3,4)5)14-23(17)20-10-12-25-30-24(28-18(2)32)16-31(25)15-20/h6-16H,1-5H3,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452151 (CHEMBL4208527) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(C)=O)cn2c1 |r| Show InChI InChI=1S/C30H31F3N6O2/c1-18-5-7-24(14-26(18)21-6-8-28-36-27(34-20(3)40)17-38(28)16-21)35-29(41)22-11-23(30(31,32)33)13-25(12-22)39-10-9-37(4)15-19(39)2/h5-8,11-14,16-17,19H,9-10,15H2,1-4H3,(H,34,40)(H,35,41)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452151 (CHEMBL4208527) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-c1ccc2nc(NC(C)=O)cn2c1 |r| Show InChI InChI=1S/C30H31F3N6O2/c1-18-5-7-24(14-26(18)21-6-8-28-36-27(34-20(3)40)17-38(28)16-21)35-29(41)22-11-23(30(31,32)33)13-25(12-22)39-10-9-37(4)15-19(39)2/h5-8,11-14,16-17,19H,9-10,15H2,1-4H3,(H,34,40)(H,35,41)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452154 (CHEMBL4205266) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)-c2ccc3nc(NC(C)=O)cn3c2)CC1 Show InChI InChI=1S/C30H31F3N6O2/c1-19-4-8-24(15-25(19)22-7-9-28-36-27(34-20(2)40)18-39(28)17-22)35-29(41)21-5-6-23(26(14-21)30(31,32)33)16-38-12-10-37(3)11-13-38/h4-9,14-15,17-18H,10-13,16H2,1-3H3,(H,34,40)(H,35,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452148 (CHEMBL4209163) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(n2)C(F)(F)F)ccc1C Show InChI InChI=1S/C23H18F3N5O2/c1-13-6-8-16(28-22(33)18-4-3-5-19(29-18)23(24,25)26)10-17(13)15-7-9-21-30-20(27-14(2)32)12-31(21)11-15/h3-12H,1-2H3,(H,27,32)(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452154 (CHEMBL4205266) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)-c2ccc3nc(NC(C)=O)cn3c2)CC1 Show InChI InChI=1S/C30H31F3N6O2/c1-19-4-8-24(15-25(19)22-7-9-28-36-27(34-20(2)40)18-39(28)17-22)35-29(41)21-5-6-23(26(14-21)30(31,32)33)16-38-12-10-37(3)11-13-38/h4-9,14-15,17-18H,10-13,16H2,1-3H3,(H,34,40)(H,35,41)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452152 (CHEMBL4217462) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(C)(C)C)ccc1C Show InChI InChI=1S/C27H28N4O2/c1-17-9-11-22(29-26(33)19-7-6-8-21(13-19)27(3,4)5)14-23(17)20-10-12-25-30-24(28-18(2)32)16-31(25)15-20/h6-16H,1-5H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Kit (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50452153 (CHEMBL4211935) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2ccccc2)ccc1C Show InChI InChI=1S/C23H20N4O2/c1-15-8-10-19(25-23(29)17-6-4-3-5-7-17)12-20(15)18-9-11-22-26-21(24-16(2)28)14-27(22)13-18/h3-14H,1-2H3,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus ...				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Ephrin type-A receptor 4 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of EphA4 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452154 (CHEMBL4205266) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)-c2ccc3nc(NC(C)=O)cn3c2)CC1 Show InChI InChI=1S/C30H31F3N6O2/c1-19-4-8-24(15-25(19)22-7-9-28-36-27(34-20(2)40)18-39(28)17-22)35-29(41)21-5-6-23(26(14-21)30(31,32)33)16-38-12-10-37(3)11-13-38/h4-9,14-15,17-18H,10-13,16H2,1-3H3,(H,34,40)(H,35,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of EphB4 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Lyn (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452149 (CHEMBL4216073) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C24H19F3N4O2/c1-14-6-8-19(29-23(33)16-4-3-5-18(10-16)24(25,26)27)11-20(14)17-7-9-22-30-21(28-15(2)32)13-31(22)12-17/h3-13H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452147 (CHEMBL4204192) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C Show InChI InChI=1S/C23H18F3N5O2/c1-13-3-5-17(29-22(33)19-9-16(7-8-27-19)23(24,25)26)10-18(13)15-4-6-21-30-20(28-14(2)32)12-31(21)11-15/h3-12H,1-2H3,(H,28,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452153 (CHEMBL4211935) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2ccccc2)ccc1C Show InChI InChI=1S/C23H20N4O2/c1-15-8-10-19(25-23(29)17-6-4-3-5-7-17)12-20(15)18-9-11-22-26-21(24-16(2)28)14-27(22)13-18/h3-14H,1-2H3,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452147 (CHEMBL4204192) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cc(ccn2)C(F)(F)F)ccc1C Show InChI InChI=1S/C23H18F3N5O2/c1-13-3-5-17(29-22(33)19-9-16(7-8-27-19)23(24,25)26)10-18(13)15-4-6-21-30-20(28-14(2)32)12-31(21)11-15/h3-12H,1-2H3,(H,28,32)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452150 (CHEMBL4216386) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(Cl)c2)ccc1C Show InChI InChI=1S/C23H19ClN4O2/c1-14-6-8-19(26-23(30)16-4-3-5-18(24)10-16)11-20(14)17-7-9-22-27-21(25-15(2)29)13-28(22)12-17/h3-13H,1-2H3,(H,25,29)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452150 (CHEMBL4216386) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(Cl)c2)ccc1C Show InChI InChI=1S/C23H19ClN4O2/c1-14-6-8-19(26-23(30)16-4-3-5-18(24)10-16)11-20(14)17-7-9-22-27-21(25-15(2)29)13-28(22)12-17/h3-13H,1-2H3,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50452153 (CHEMBL4211935) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2ccccc2)ccc1C Show InChI InChI=1S/C23H20N4O2/c1-15-8-10-19(25-23(29)17-6-4-3-5-7-17)12-20(15)18-9-11-22-26-21(24-16(2)28)14-27(22)13-18/h3-14H,1-2H3,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50452148 (CHEMBL4209163) Show SMILES CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(n2)C(F)(F)F)ccc1C Show InChI InChI=1S/C23H18F3N5O2/c1-13-6-8-16(28-22(33)18-4-3-5-19(29-18)23(24,25)26)10-17(13)15-7-9-21-30-20(27-14(2)32)12-31(21)11-15/h3-12H,1-2H3,(H,27,32)(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of P38 (unknown origin)				Bioorg Med Chem Lett 27: 5221-5224 (2017) Article DOI: 10.1016/j.bmcl.2017.10.047 BindingDB Entry DOI: 10.7270/Q2SB4892
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50237792 (CHEMBL4081025) Show SMILES Cc1ccc(cc1-c1cc(ncn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(C)(C)C Show InChI InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50237798 (CHEMBL4105276) Show SMILES Cc1ccc(cc1-c1cc(ncn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-16(22(31)29-18-4-2-3-17(12-18)23(24,25)26)11-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202656 (US10245267, Example 1 | US10709712, Example 1 | US...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202770 (US10245267, Example 117 | US10709712, Example 117 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C25H24F3N3O3/c1-16-6-7-20(29-23(32)17-4-3-5-19(12-17)25(26,27)28)14-21(16)18-13-22(24(33)30(2)15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202791 (US10245267, Example 138 | US10709712, Example 138 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(23(33)30(2)14-17)31-6-8-34-9-7-31)12-19(13-28-15)29-22(32)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM77953 (US10245267, Example 390 | US10709712, Example 390 ...) Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C23H22F3N5O3/c1-14-18(16-9-19(22(33)30(2)13-16)31-5-7-34-8-6-31)11-17(12-28-14)29-21(32)15-3-4-27-20(10-15)23(24,25)26/h3-4,9-13H,5-8H2,1-2H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202787 (US10245267, Example 134 | US10709712, Example 134 ...) Show SMILES CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C Show InChI InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-7-9-35-10-8-33)12-19(14-31-25)22-13-21(15-30-17(22)3)32-24(34)18-5-4-6-20(11-18)26(27,28)29/h4-6,11-16H,7-10H2,1-3H3,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202798 (US10245267, Example 145 | US10709712, Example 145 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OCCO)c(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202784 (US10245267, Example 131 | US10709712, Example 131 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method				J Med Chem 60: 4869-4881 (2017) Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC
					More data for this Ligand-Target Pair

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