Compile Data Set for Download or QSAR

Found 1392 hits with Last Name = 'diebold' and Initial = 'rb'   

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
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	-55.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15136 (5-indazolyl pyridine 11e | 5-{5-[(2S)-2-amino-3-(2...) Show SMILES COc1ccc2ccccc2c1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r| Show InChI InChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	-50.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15132 (5-indazolyl pyridine 11a | 5-{5-[(2S)-2-amino-3-(2...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	-49.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15134 (5-indazolyl pyridine 11c | 5-{5-[(2S)-2-amino-3-(n...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C26H24N4O/c1-17-25-13-21(8-9-26(25)30-29-17)22-12-24(15-28-14-22)31-16-23(27)11-18-6-7-19-4-2-3-5-20(19)10-18/h2-10,12-15,23H,11,16,27H2,1H3,(H,29,30)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15125 (5-isoquinolinyl pyridine 10d | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H23N3O/c28-26(12-19-5-6-20-3-1-2-4-21(20)11-19)18-31-27-14-25(16-30-17-27)22-7-8-24-15-29-10-9-23(24)13-22/h1-11,13-17,26H,12,18,28H2/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	-47.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15133 (5-indazolyl pyridine 11b | 5-{5-[(2S)-2-amino-3-(1...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2csc3ccccc23)c1 |r| Show InChI InChI=1S/C24H22N4OS/c1-15-22-10-16(6-7-23(22)28-27-15)17-9-20(12-26-11-17)29-13-19(25)8-18-14-30-24-5-3-2-4-21(18)24/h2-7,9-12,14,19H,8,13,25H2,1H3,(H,27,28)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	-46.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15123 (5-isoquinolinyl pyridine 10b | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1n[nH]c2ccccc12 |r| Show InChI InChI=1S/C24H21N5O/c25-20(11-24-22-3-1-2-4-23(22)28-29-24)15-30-21-10-19(13-27-14-21)16-5-6-18-12-26-8-7-17(18)9-16/h1-10,12-14,20H,11,15,25H2,(H,28,29)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80	-46.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15145 (5-indazolyl pyridine 16 | N-[(2S)-2-amino-3-phenyl...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H23N5/c1-15-21-11-17(7-8-22(21)27-26-15)18-10-20(14-24-12-18)25-13-19(23)9-16-5-3-2-4-6-16/h2-8,10-12,14,19,25H,9,13,23H2,1H3,(H,26,27)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	-45.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15135 (5-indazolyl pyridine 11d | 5-{5-[(2S)-2-amino-3-(n...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3ccccc23)c1 |r| Show InChI InChI=1S/C26H24N4O/c1-17-25-13-19(9-10-26(25)30-29-17)21-12-23(15-28-14-21)31-16-22(27)11-20-7-4-6-18-5-2-3-8-24(18)20/h2-10,12-15,22H,11,16,27H2,1H3,(H,29,30)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	-45.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15138 (5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM15138 (5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	16	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15122 (5-isoquinolinyl pyridine 10a | 6-{5-[(2S)-2-amino-...) Show SMILES Cn1cc(C[C@H](N)COc2cncc(c2)-c2ccc3cnccc3c2)c2ccccc12 |r| Show InChI InChI=1S/C26H24N4O/c1-30-16-22(25-4-2-3-5-26(25)30)11-23(27)17-31-24-12-21(14-29-15-24)18-6-7-20-13-28-9-8-19(20)10-18/h2-10,12-16,23H,11,17,27H2,1H3/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	54.6	-41.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15124 (5-isoquinolinyl pyridine 10c | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1csc2ccccc12 |r| Show InChI InChI=1S/C25H21N3OS/c26-22(10-21-16-30-25-4-2-1-3-24(21)25)15-29-23-11-20(13-28-14-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-14,16,22H,10,15,26H2/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63.7	-40.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15144 (5-(5-{[(2S)-2-amino-5-phenylpentyl]oxy}pyridin-3-y...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CCCc2ccccc2)c1 |r| Show InChI InChI=1S/C24H26N4O/c1-17-23-13-19(10-11-24(23)28-27-17)20-12-22(15-26-14-20)29-16-21(25)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-15,21H,5,8-9,16,25H2,1H3,(H,27,28)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	70.6	-40.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15126 (5-isoquinolinyl pyridine 10e | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1cnc2ccccc2c1 |r| Show InChI InChI=1S/C26H22N4O/c27-24(10-18-9-21-3-1-2-4-26(21)30-13-18)17-31-25-12-23(15-29-16-25)19-5-6-22-14-28-8-7-20(22)11-19/h1-9,11-16,24H,10,17,27H2/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	85	-40.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15127 (5-isoquinolinyl pyridine 10f | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccccc1 |r| Show InChI InChI=1S/C23H21N3O/c24-22(10-17-4-2-1-3-5-17)16-27-23-12-21(14-26-15-23)18-6-7-20-13-25-9-8-19(20)11-18/h1-9,11-15,22H,10,16,24H2/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	89.6	-39.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15137 (3-[(2S)-2-amino-3-{[5-(3-methyl-1H-indazol-5-yl)py...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cnc3ccccc3c2)c1 |r| Show InChI InChI=1S/C25H23N5O/c1-16-23-11-18(6-7-25(23)30-29-16)20-10-22(14-27-13-20)31-15-21(26)9-17-8-19-4-2-3-5-24(19)28-12-17/h2-8,10-14,21H,9,15,26H2,1H3,(H,29,30)/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	185	-38.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15143 (5-(5-{[(4R)-4-amino-5-phenylpentyl]oxy}pyridin-3-y...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OCCC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C24H26N4O/c1-17-23-14-19(9-10-24(23)28-27-17)20-13-22(16-26-15-20)29-11-5-8-21(25)12-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-16,21H,5,8,11-12,25H2,1H3,(H,27,28)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	197	-37.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15141 (5-indazolyl pyridine 11j | 5-{5-[(2S)-2-amino-2-ph...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)c2ccccc2)c1 |r| Show InChI InChI=1S/C21H20N4O/c1-14-19-10-16(7-8-21(19)25-24-14)17-9-18(12-23-11-17)26-13-20(22)15-5-3-2-4-6-15/h2-12,20H,13,22H2,1H3,(H,24,25)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	233	-37.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15146 (5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfan...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(SC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5S/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	244	-37.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15142 (5-indazolyl pyridine 11k | 5-{5-[(3S)-3-amino-4-ph...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OCC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H24N4O/c1-16-22-13-18(7-8-23(22)27-26-16)19-12-21(15-25-14-19)28-10-9-20(24)11-17-5-3-2-4-6-17/h2-8,12-15,20H,9-11,24H2,1H3,(H,26,27)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	289	-36.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15140 (5-indazolyl pyridine 11i | 5-{5-[(2S)-2-amino-3-cy...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CC2CCCCC2)c1 |r| Show InChI InChI=1S/C22H28N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h7-8,10-13,16,19H,2-6,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	368	-36.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15130 (5-isoquinolinyl pyridine 10i | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C22H19N3O/c23-22(16-4-2-1-3-5-16)15-26-21-11-20(13-25-14-21)17-6-7-19-12-24-9-8-18(19)10-17/h1-14,22H,15,23H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	465	-35.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15147 (5-indazolyl pyridine 24 | 5-{5-[(2R)-2-amino-3-phe...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	626	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15129 (5-isoquinolinyl pyridine 10h | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)CC1CCCCC1 |r| Show InChI InChI=1S/C23H27N3O/c24-22(10-17-4-2-1-3-5-17)16-27-23-12-21(14-26-15-23)18-6-7-20-13-25-9-8-19(20)11-18/h6-9,11-15,17,22H,1-5,10,16,24H2/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	672	-34.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15128 (5-isoquinolinyl pyridine 10g | 6-{5-[(2S)-2-amino-...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccncc1 |r| Show InChI InChI=1S/C22H20N4O/c23-21(9-16-3-6-24-7-4-16)15-27-22-11-20(13-26-14-22)17-1-2-19-12-25-8-5-18(19)10-17/h1-8,10-14,21H,9,15,23H2/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.53E+3	-32.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15139 (5-indazolyl pyridine 11h | 5-{5-[(2S)-2-amino-3-(p...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1 |r| Show InChI InChI=1S/C21H21N5O/c1-14-20-10-16(2-3-21(20)26-25-14)17-9-19(12-24-11-17)27-13-18(22)8-15-4-6-23-7-5-15/h2-7,9-12,18H,8,13,22H2,1H3,(H,25,26)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.28E+3	-31.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				J Med Chem 50: 2990-3003 (2007) Article DOI: 10.1021/jm0701019 BindingDB Entry DOI: 10.7270/Q24X562F
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM16531 ((3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]o...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C29H24N4O3/c30-21(10-20-15-32-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(34)33-28)13-22-4-3-9-35-22/h1-9,11-16,21,32H,10,17,30H2,(H,33,34)/b26-13-/t21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				J Med Chem 50: 2990-3003 (2007) Article DOI: 10.1021/jm0701019 BindingDB Entry DOI: 10.7270/Q24X562F
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156397 (US9018381, 20) Show SMILES CCN(CC)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42+,49-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM204937 (US9248140, 21) Show SMILES CCNC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H55ClF3N5O7S3/c1-2-54-31-40-32-65-29-28-58(40)27-24-38(33-66-41-8-4-3-5-9-41)55-45-21-20-42(30-46(45)67(61,62)49(51,52)53)68(63,64)56-48(60)36-14-18-39(19-15-36)57-25-22-35(23-26-57)47(59)44-11-7-6-10-43(44)34-12-16-37(50)17-13-34/h3-21,30,35,38,40,47,54-55,59H,2,22-29,31-33H2,1H3,(H,56,60)/t38-,40-,47-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM204936 (US9248140, 20) Show SMILES CN(C)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H55ClF3N5O7S3/c1-56(2)31-40-32-65-29-28-58(40)27-24-38(33-66-41-8-4-3-5-9-41)54-45-21-20-42(30-46(45)67(61,62)49(51,52)53)68(63,64)55-48(60)36-14-18-39(19-15-36)57-25-22-35(23-26-57)47(59)44-11-7-6-10-43(44)34-12-16-37(50)17-13-34/h3-21,30,35,38,40,47,54,59H,22-29,31-33H2,1-2H3,(H,55,60)/t38-,40+,47-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156398 (US9018381, 21) Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156378 (US9018381, 3 | US9248140, 3) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156377 (US9018381, 2 | US9248140, 2) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H46ClN5O6S2/c1-47(2)25-24-34(29-56-36-8-4-3-5-9-36)45-40-21-20-37(28-41(40)49(52)53)57(54,55)46-43(51)32-14-18-35(19-15-32)48-26-22-31(23-27-48)42(50)39-11-7-6-10-38(39)30-12-16-33(44)17-13-30/h3-21,28,31,34,42,45,50H,22-27,29H2,1-2H3,(H,46,51)/t34-,42-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156377 (US9018381, 2 | US9248140, 2) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H46ClN5O6S2/c1-47(2)25-24-34(29-56-36-8-4-3-5-9-36)45-40-21-20-37(28-41(40)49(52)53)57(54,55)46-43(51)32-14-18-35(19-15-32)48-26-22-31(23-27-48)42(50)39-11-7-6-10-38(39)30-12-16-33(44)17-13-30/h3-21,28,31,34,42,45,50H,22-27,29H2,1-2H3,(H,46,51)/t34-,42-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156378 (US9018381, 3 | US9248140, 3) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM16532 ((2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-pyrazolo...) Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C23H22N6O/c1-14-20-8-22(27-12-23(20)29-28-14)16-7-18(11-25-9-16)30-13-17(24)6-15-10-26-21-5-3-2-4-19(15)21/h2-5,7-12,17,26H,6,13,24H2,1H3,(H,28,29)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				J Med Chem 50: 2990-3003 (2007) Article DOI: 10.1021/jm0701019 BindingDB Entry DOI: 10.7270/Q24X562F
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156402 (US9018381, 25 | US9248140, 25) Show SMILES OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156401 (US9018381, 24 | US9248140, 24) Show SMILES OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156401 (US9018381, 24 | US9248140, 24) Show SMILES OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156403 (US9018381, 26 | US9248140, 26) Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156403 (US9018381, 26 | US9248140, 26) Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM156402 (US9018381, 25 | US9248140, 25) Show SMILES OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156403 (US9018381, 26 | US9248140, 26) Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156398 (US9018381, 21) Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 [1-204] (Homo sapiens (Human))	BDBM156380 (US9018381, 4 | US9248140, 4) Show SMILES CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H50ClF3N4O7S3/c1-2-53(28-29-55)25-24-36(31-62-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)63(58,59)46(48,49)50)64(60,61)52-45(57)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(56)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55-56H,2,22-29,31H2,1H3,(H,52,57)/t36-,44-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 [1-209] (Homo sapiens (Human))	BDBM156403 (US9018381, 26 | US9248140, 26) Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 [1-209] (Homo sapiens (Human))	BDBM204937 (US9248140, 21) Show SMILES CCNC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H55ClF3N5O7S3/c1-2-54-31-40-32-65-29-28-58(40)27-24-38(33-66-41-8-4-3-5-9-41)55-45-21-20-42(30-46(45)67(61,62)49(51,52)53)68(63,64)56-48(60)36-14-18-39(19-15-36)57-25-22-35(23-26-57)47(59)44-11-7-6-10-43(44)34-12-16-37(50)17-13-34/h3-21,30,35,38,40,47,54-55,59H,2,22-29,31-33H2,1H3,(H,56,60)/t38-,40-,47-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of kno...				US Patent US9248140 (2016) BindingDB Entry DOI: 10.7270/Q21G0K34
					More data for this Ligand-Target Pair

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