Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'bernardo' and Initial = 'v'   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343424 (1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343427 (CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343430 (CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343431 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343430 (CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343431 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343421 (2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...) Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50142885 (Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...) Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343429 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C27H31ClN6OS/c28-24(22-9-5-2-6-10-22)20-34-26-23(19-30-34)25(29-12-11-21-7-3-1-4-8-21)31-27(32-26)36-18-15-33-13-16-35-17-14-33/h1-10,19,24H,11-18,20H2,(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343426 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343425 (CHEMBL1775041 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C23H22Cl2N6O/c24-17-7-4-8-18(13-17)27-21-19-14-26-31(15-20(25)16-5-2-1-3-6-16)22(19)29-23(28-21)30-9-11-32-12-10-30/h1-8,13-14,20H,9-12,15H2,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343428 (1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...) Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343417 (1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-4-...) Show SMILES ClC(Cn1ncc2c(NCc3ccncc3)ncnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16Cl2N6/c20-15-3-1-14(2-4-15)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343420 (6-(Methylsulfonyl)-1-(2-phenylvinyl)-N-propyl-1H-p...) Show SMILES CCCNc1nc(nc2n(\C=C/c3ccccc3)ncc12)S(C)(=O)=O Show InChI InChI=1S/C17H19N5O2S/c1-3-10-18-15-14-12-19-22(11-9-13-7-5-4-6-8-13)16(14)21-17(20-15)25(2,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,18,20,21)/b11-9-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343419 (CHEMBL1775043 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5O2S/c1-30(28,29)21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343424 (1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...) Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14| Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343428 (1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...) Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343418 (1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-2-...) Show SMILES ClC(Cn1ncc2c(NCc3ccccn3)ncnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16Cl2N6/c20-14-6-4-13(5-7-14)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343422 (1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-4-...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccncc3)ncnc12 Show InChI InChI=1S/C19H16ClFN6/c20-17(14-1-3-15(21)4-2-14)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343419 (CHEMBL1775043 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5O2S/c1-30(28,29)21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50343423 (1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-2-...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccn3)ncnc12 Show InChI InChI=1S/C19H16ClFN6/c20-17(13-4-6-14(21)7-5-13)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Abl by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343421 (2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...) Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1 Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343427 (CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...) Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1 Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343420 (6-(Methylsulfonyl)-1-(2-phenylvinyl)-N-propyl-1H-p...) Show SMILES CCCNc1nc(nc2n(\C=C/c3ccccc3)ncc12)S(C)(=O)=O Show InChI InChI=1S/C17H19N5O2S/c1-3-10-18-15-14-12-19-22(11-9-13-7-5-4-6-8-13)16(14)21-17(20-15)25(2,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,18,20,21)/b11-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343422 (1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-4-...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccncc3)ncnc12 Show InChI InChI=1S/C19H16ClFN6/c20-17(14-1-3-15(21)4-2-14)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50142885 (Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...) Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343426 (1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...) Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12 Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343417 (1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-4-...) Show SMILES ClC(Cn1ncc2c(NCc3ccncc3)ncnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16Cl2N6/c20-15-3-1-14(2-4-15)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-13-5-7-22-8-6-13/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343418 (1-[2-Chloro-2-(4-chlorophenyl)ethyl]-N-(pyridin-2-...) Show SMILES ClC(Cn1ncc2c(NCc3ccccn3)ncnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H16Cl2N6/c20-14-6-4-13(5-7-14)17(21)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343425 (CHEMBL1775041 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...) Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C23H22Cl2N6O/c24-17-7-4-8-18(13-17)27-21-19-14-26-31(15-20(25)16-5-2-1-3-6-16)22(19)29-23(28-21)30-9-11-32-12-10-30/h1-8,13-14,20H,9-12,15H2,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343423 (1-[2-Chloro-2-(4-fluorophenyl)ethyl]-N-(pyridin-2-...) Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccn3)ncnc12 Show InChI InChI=1S/C19H16ClFN6/c20-17(13-4-6-14(21)7-5-13)11-27-19-16(10-26-27)18(24-12-25-19)23-9-15-3-1-2-8-22-15/h1-8,10,12,17H,9,11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM13530 (4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant c-Src by filter-binding assay				J Med Chem 54: 2610-26 (2011) Article DOI: 10.1021/jm1012819 BindingDB Entry DOI: 10.7270/Q28K79F5
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322393 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r| Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322395 ((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r| Show InChI InChI=1S/C19H20F2N6O/c1-11-7-23-16-15(11)17(26-10-25-16)27-5-4-19(22,9-27)8-24-18(28)13-3-2-12(20)6-14(13)21/h2-3,6-7,10H,4-5,8-9,22H2,1H3,(H,24,28)(H,23,25,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322394 ((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...) Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r| Show InChI InChI=1S/C18H17ClF2N6O/c19-12-6-23-15-14(12)16(26-9-25-15)27-4-3-18(22,8-27)7-24-17(28)11-2-1-10(20)5-13(11)21/h1-2,5-6,9H,3-4,7-8,22H2,(H,24,28)(H,23,25,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322401 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r| Show InChI InChI=1S/C20H23FN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322397 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r| Show InChI InChI=1S/C20H23ClN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24855 (4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...) Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12 Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322402 ((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...) Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r| Show InChI InChI=1S/C18H18ClFN6O/c19-13-7-22-15-14(13)16(25-10-24-15)26-6-5-18(21,9-26)8-23-17(27)11-1-3-12(20)4-2-11/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322403 ((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r| Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322398 ((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...) Show SMILES N[C@]1(CNC(=O)c2ccc(Cl)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r| Show InChI InChI=1S/C18H18Cl2N6O/c19-12-3-1-11(2-4-12)17(27)23-8-18(21)5-6-26(9-18)16-14-13(20)7-22-15(14)24-10-25-16/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322388 (5-chloro-4-(2,8-diazaspiro[4.5]decan-2-yl)-7H-pyrr...) Show SMILES Clc1c[nH]c2ncnc(N3CCC4(C3)CCNCC4)c12 Show InChI InChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322403 ((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r| Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322396 ((S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(C#N)c12 |r| Show InChI InChI=1S/C19H17F2N7O/c20-12-1-2-13(14(21)5-12)18(29)25-8-19(23)3-4-28(9-19)17-15-11(6-22)7-24-16(15)26-10-27-17/h1-2,5,7,10H,3-4,8-9,23H2,(H,25,29)(H,24,26,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322404 ((S)-N-((3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(C1)c1ncnc2[nH]cc(C#N)c12 |r| Show InChI InChI=1S/C19H18FN7O/c20-14-3-1-12(2-4-14)18(28)24-9-19(22)5-6-27(10-19)17-15-13(7-21)8-23-16(15)25-11-26-17/h1-4,8,11H,5-6,9-10,22H2,(H,24,28)(H,23,25,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322393 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r| Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT2 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322399 ((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r| Show InChI InChI=1S/C19H21ClN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322393 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r| Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT3 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322412 (CHEMBL1171840 | phenyl(3-amino-1-(5-methyl-7H-pyrr...) Show SMILES Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)Oc4ccccc4)C3)c12 Show InChI InChI=1S/C19H22N6O2/c1-13-9-21-16-15(13)17(24-12-23-16)25-8-7-19(20,11-25)10-22-18(26)27-14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,22,26)(H,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair

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