Compile Data Set for Download or QSAR

Found 473 hits with Last Name = 'kay' and Initial = 'dp'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341530 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341751 (3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...) Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of full length recombinant ATR Morrison equation analysis				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341521 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341521 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341542 (3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50290014 ((S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C23H32N4O9/c1-11(2)19(22(34)24-12(3)20(32)26-17(23(35)36)10-18(30)31)27-21(33)16(25-13(4)28)9-14-5-7-15(29)8-6-14/h5-8,11-12,16-17,19,29H,9-10H2,1-4H3,(H,24,34)(H,25,28)(H,26,32)(H,27,33)(H,30,31)(H,35,36)/t12-,16-,17-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341530 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Kit after 45 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341525 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341540 (3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341521 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341520 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341530 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FLT3				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341528 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341527 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341522 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341526 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(5-(methylami...) Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50162083 ((5-Methyl-1H-pyrazol-3-yl)-(2-phenyl-quinazolin-4-...) Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1 Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	24	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 Glycogen synthase kinase-3				J Med Chem 48: 1278-81 (2005) Article DOI: 10.1021/jm0492249 BindingDB Entry DOI: 10.7270/Q2X92F1P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341529 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cc(cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1)C#N |r| Show InChI InChI=1S/C29H32N6O2/c1-31-24-14-20(17-30)13-22(15-24)23-16-27(29(37)32-18-23)33-28(36)21-6-8-25(9-7-21)35-12-4-5-26(35)19-34-10-2-3-11-34/h6-9,13-16,18,26,31H,2-5,10-12,19H2,1H3,(H,32,37)(H,33,36)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341540 (3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341520 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50341530 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1nccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of SRC				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341542 (3-(4-Dimethylaminobenzoylamino)-5-(pyridin-4-yl)-(...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C19H18N4O2/c1-23(2)16-5-3-14(4-6-16)18(24)22-17-11-15(12-21-19(17)25)13-7-9-20-10-8-13/h3-12H,1-2H3,(H,21,25)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341522 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50290012 ((S)-2-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylam...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C21H29N3O7/c1-12(2)18(24-16(25)10-9-14-7-5-4-6-8-14)20(29)22-13(3)19(28)23-15(21(30)31)11-17(26)27/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,22,29)(H,23,28)(H,24,25)(H,26,27)(H,30,31)/t13-,15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50290009 ((S)-3-(2-{3-[2-Acetylamino-2-(4-hydroxy-phenyl)-ac...) Show SMILES CC(=O)NC(C(=O)Nc1ccc(Cc2ccccc2)n(CC(=O)N[C@@H](CC(O)=O)C=O)c1=O)c1ccc(O)cc1 Show InChI InChI=1S/C28H28N4O8/c1-17(34)29-26(19-7-10-22(35)11-8-19)27(39)31-23-12-9-21(13-18-5-3-2-4-6-18)32(28(23)40)15-24(36)30-20(16-33)14-25(37)38/h2-12,16,20,26,35H,13-15H2,1H3,(H,29,34)(H,30,36)(H,31,39)(H,37,38)/t20-,26?/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	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50058529 ((S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methy...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341524 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341528 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cc(F)cc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C28H32FN5O2/c1-30-23-14-20(13-22(29)16-23)21-15-26(28(36)31-17-21)32-27(35)19-6-8-24(9-7-19)34-12-4-5-25(34)18-33-10-2-3-11-33/h6-9,13-17,25,30H,2-5,10-12,18H2,1H3,(H,31,36)(H,32,35)/t25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341523 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...) Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341523 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...) Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341522 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cc(ncn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341520 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(pyridin-4-yl...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C22H22N4O2/c27-21(17-4-6-19(7-5-17)26-12-2-1-3-13-26)25-20-14-18(15-24-22(20)28)16-8-10-23-11-9-16/h4-11,14-15H,1-3,12-13H2,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50475257 (CHEMBL179420) Show SMILES N(c1cc[nH]n1)c1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c1-2-6-12(7-3-1)16-19-14-9-5-4-8-13(14)17(21-16)20-15-10-11-18-22-15/h1-11H,(H2,18,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	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 Glycogen synthase kinase-3				J Med Chem 48: 1278-81 (2005) Article DOI: 10.1021/jm0492249 BindingDB Entry DOI: 10.7270/Q2X92F1P
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341525 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C22H24N6O2/c1-23-20-14-24-13-19(26-20)16-11-18(22(30)25-12-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,23,26)(H,25,30)(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341524 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341531 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...) Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of SRC				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341540 (3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C21H21N3O2/c1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14/h4-13H,1-3H3,(H,23,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of SRC				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50341527 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C27H32N6O2/c1-28-22-13-20(15-29-17-22)21-14-25(27(35)30-16-21)31-26(34)19-6-8-23(9-7-19)33-12-4-5-24(33)18-32-10-2-3-11-32/h6-9,13-17,24,28H,2-5,10-12,18H2,1H3,(H,30,35)(H,31,34)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of FMS				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341544 (3-(4-(Piperidin-1-yl)phenylcarbamoyl)-5-(pyridin-4...) Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)c1cc(c[nH]c1=O)-c1ccncc1 Show InChI InChI=1S/C22H22N4O2/c27-21-20(14-17(15-24-21)16-8-10-23-11-9-16)22(28)25-18-4-6-19(7-5-18)26-12-2-1-3-13-26/h4-11,14-15H,1-3,12-13H2,(H,24,27)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50341521 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...) Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of SRC				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50341523 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(3-(methylami...) Show SMILES CNc1cccc(c1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50341524 (3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(methylami...) Show SMILES CNc1cccc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1 Show InChI InChI=1S/C23H25N5O2/c1-24-21-7-5-6-19(26-21)17-14-20(23(30)25-15-17)27-22(29)16-8-10-18(11-9-16)28-12-3-2-4-13-28/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)(H,25,30)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of KIT				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50475255 (CHEMBL179341) Show SMILES Cc1cnc(Nc2nc(nc3ccccc23)-c2ccccc2)s1 Show InChI InChI=1S/C18H14N4S/c1-12-11-19-18(23-12)22-17-14-9-5-6-10-15(14)20-16(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	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 Glycogen synthase kinase-3				J Med Chem 48: 1278-81 (2005) Article DOI: 10.1021/jm0492249 BindingDB Entry DOI: 10.7270/Q2X92F1P
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50290006 ((S)-3-{2-[6-Benzyl-2-oxo-3-(3-phenyl-propionylamin...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O)C=O Show InChI InChI=1S/C27H27N3O6/c31-18-21(16-26(34)35)28-25(33)17-30-22(15-20-9-5-2-6-10-20)12-13-23(27(30)36)29-24(32)14-11-19-7-3-1-4-8-19/h1-10,12-13,18,21H,11,14-17H2,(H,28,33)(H,29,32)(H,34,35)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50290015 ((S)-4-Oxo-3-{(S)-2-[2-oxo-3-(3-phenyl-propionylami...) Show SMILES C[C@@H](C(=O)N[C@@H](CC(O)=O)C=O)n1cccc(NC(=O)CCc2ccccc2)c1=O Show InChI InChI=1S/C21H23N3O6/c1-14(20(29)22-16(13-25)12-19(27)28)24-11-5-8-17(21(24)30)23-18(26)10-9-15-6-3-2-4-7-15/h2-8,11,13-14,16H,9-10,12H2,1H3,(H,22,29)(H,23,26)(H,27,28)/t14-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme				Bioorg Med Chem Lett 7: 2181-2186 (1997) Article DOI: 10.1016/S0960-894X(97)00394-6 BindingDB Entry DOI: 10.7270/Q2VH5NT2
					More data for this Ligand-Target Pair

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