BDBM50168389 CHEMBL195218::[4-(2,4-Difluoro-5-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid 3-methanesulfonyl-propyl ester

SMILES: CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F

InChI Key: InChIKey=ITQSJZWWFWDOKJ-UHFFFAOYSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50168389   

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
Vascular endothelial growth factor receptor 1/2/3 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferation				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human protein kinase C alpha				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human fibroblast growth factor receptor 1				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor (HER-1)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet-derived growth factor receptor beta				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p56 lck tyrosine kinase				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human insulin-like growth factor I receptor				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition against human HER2 kinase				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human cyclin-dependent kinase 2				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair