BDBM50067520 CHEMBL3401982

SMILES: Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1

InChI Key: InChIKey=YQHXFSMWBWXLGR-SBBZOCNPSA-N

Data: 17 KI

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 17 hits for monomerid = 50067520   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PLK (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PKAa (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of MET (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I) (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of JNK3 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SRC (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50067520 (CHEMBL3401982) Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1 |r,wU:22.24,wD:15.14,(3.52,6.58,;2.32,6.87,;1.9,8.35,;.39,8.73,;-.67,7.61,;-2.2,7.65,;-2.72,6.2,;-1.52,5.3,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-.32,1.41,;.98,.59,;.93,-.96,;-.48,-1.66,;-.57,-3.2,;.73,-4.07,;2.12,-3.4,;.86,-3.35,;.83,-1.64,;2.26,-1.79,;3.68,-1.07,;5.04,-1.77,;6.11,-.67,;7.33,-.85,;5.4,.7,;3.88,.44,;-.27,2.95,;-.25,6.13,;1.24,5.75,)| Show InChI InChI=1S/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 25: 1990-4 (2015) Article DOI: 10.1016/j.bmcl.2015.03.013 BindingDB Entry DOI: 10.7270/Q2V40WW5
					More data for this Ligand-Target Pair