Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'hobbs' and Initial = 'ci'   

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
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419265 (CHEMBL1835069) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189392 (CHEMBL3828311) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r| Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50396073 (CHEMBL1235110) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118668 (CHEMBL3617086) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419258 (CHEMBL1835070) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118637 (CHEMBL3617084) Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118669 (CHEMBL3617083) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419256 (CHEMBL1835065 | US9579320, Example 302) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50396073 (CHEMBL1235110) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189402 (CHEMBL3828008) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r| Show InChI InChI=1/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118665 (CHEMBL3617085) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118672 (CHEMBL3617082) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50419256 (CHEMBL1835065 | US9579320, Example 302) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with h...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118524 (CHEMBL3617080) Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/s2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118523 (CHEMBL3617079) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118588 (CHEMBL3617095) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419263 (CHEMBL1835057) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189353 (CHEMBL3827767) Show SMILES COc1ncccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-15-14(22(3)19(25)23(15)4)9-13(16)21-17(24)12-7-6-8-20-18(12)26-5/h6-11H,1-5H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419247 (CHEMBL1835071 | US8470835, 1) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50189409 (CHEMBL3828684) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C20H23N3O4/c1-12(2)27-18-11-16-15(22(3)20(25)23(16)4)10-14(18)21-19(24)13-8-6-7-9-17(13)26-5/h6-12H,1-5H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118610 (CHEMBL3617102) Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccoc4)cc3=O)c2C#N)cc1 Show InChI InChI=1S/C19H14ClN5O2/c20-14-3-1-12(2-4-14)10-22-18-16(9-21)19-23-15(7-13-5-6-27-11-13)8-17(26)25(19)24-18/h1-6,8,11,23H,7,10H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118665 (CHEMBL3617085) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118607 (CHEMBL3617098) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H18ClN5O/c1-2-3-4-14-9-16(25)24-18(22-14)15(10-20)17(23-24)21-11-12-5-7-13(19)8-6-12/h5-9,22H,2-4,11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118637 (CHEMBL3617084) Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/s2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118522 (CHEMBL3617078) Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189408 (CHEMBL3828194) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N(C)C Show InChI InChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118669 (CHEMBL3617083) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118521 (CHEMBL3617077) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118524 (CHEMBL3617080) Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/s2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118668 (CHEMBL3617086) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Branched-chain-amino-acid transferase (Homo sapiens (Human))	BDBM50118665 (CHEMBL3617085) Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATc (unknown origin)				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189348 (CHEMBL3827114) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccn1 Show InChI InChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50419265 (CHEMBL1835069) Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CC(F)(F)CC[C@@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H22F2N6O/c1-10-3-2-4-11(7-10)24-16-12(15(22)27)9-23-17(26-16)25-14-8-18(19,20)6-5-13(14)21/h2-4,7,9,13-14H,5-6,8,21H2,1H3,(H2,22,27)(H2,23,24,25,26)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50249287 (2-(2-aminoethylamino)-4-(m-tolylamino)pyrimidine-5...) Show SMILES Cc1cccc(Nc2nc(NCCN)ncc2C(N)=O)c1 Show InChI InChI=1S/C14H18N6O/c1-9-3-2-4-10(7-9)19-13-11(12(16)21)8-18-14(20-13)17-6-5-15/h2-4,7-8H,5-6,15H2,1H3,(H2,16,21)(H2,17,18,19,20)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118578 (CHEMBL3617094) Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H16ClN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ...				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50419258 (CHEMBL1835070) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2 (Homo sapiens (Human))	BDBM50419247 (CHEMBL1835071 | US8470835, 1) Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r| Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419255 (CHEMBL1835064) Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032912 (CHEMBL1522313) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1 Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50189405 (CHEMBL3828354) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@@H](C)C1 |r| Show InChI InChI=1/C22H27N5O3/c1-14-13-27(10-9-23-14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/s2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189357 (CHEMBL3827560) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNCC1 Show InChI InChI=1S/C21H25N5O3/c1-24-17-12-15(23-20(27)14-6-4-5-7-19(14)29-3)16(26-10-8-22-9-11-26)13-18(17)25(2)21(24)28/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50419260 (CHEMBL1834758) Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1 |r| Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay				Bioorg Med Chem Lett 21: 6188-94 (2011) Article DOI: 10.1016/j.bmcl.2011.07.082 BindingDB Entry DOI: 10.7270/Q2XD12ZW
					More data for this Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50118672 (CHEMBL3617082) Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis				J Med Chem 58: 7140-63 (2015) BindingDB Entry DOI: 10.7270/Q2T43VWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50189339 (CHEMBL3828500) Show SMILES COCCOc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C22H27N3O5/c1-14(2)30-20-13-18-17(24(3)22(27)25(18)4)12-16(20)23-21(26)15-8-6-7-9-19(15)29-11-10-28-5/h6-9,12-14H,10-11H2,1-5H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189411 (CHEMBL3827996) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(N)=O Show InChI InChI=1S/C21H24N4O5/c1-12(2)30-18-10-16-15(24(3)21(28)25(16)4)9-14(18)23-20(27)13-7-5-6-8-17(13)29-11-19(22)26/h5-10,12H,11H2,1-4H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair

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