Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'friebe' and Initial = 'wg'   

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
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11822 ((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11822 ((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11819 ((3R,4R)-N-{4-[4-(2-hydroxy-5-piperidin-1-ylbenzoyl...) Show SMILES Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r| Show InChI InChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11820 ((3R,4R)-N-(4-{4-[5-(3,3-dimethylpiperidin-1-yl)-2-...) Show SMILES CC1(C)CCCN(C1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C33H39N5O4/c1-33(2)14-4-18-38(21-33)25-10-11-29(39)26(19-25)30(40)22-6-8-23(9-7-22)31(41)36-27-5-3-15-35-20-28(27)37-32(42)24-12-16-34-17-13-24/h6-13,16-17,19,27-28,35,39H,3-5,14-15,18,20-21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11817 ((3R,4R)-N-{4-[4-(5-dimethylamino-2-hydroxybenzoyl)...) Show SMILES CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1368 (9b-(3-methylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][...) Show SMILES Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21 Show InChI InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11817 ((3R,4R)-N-{4-[4-(5-dimethylamino-2-hydroxybenzoyl)...) Show SMILES CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-33(2)21-9-10-25(34)22(16-21)26(35)18-5-7-19(8-6-18)27(36)31-23-4-3-13-30-17-24(23)32-28(37)20-11-14-29-15-12-20/h5-12,14-16,23-24,30,34H,3-4,13,17H2,1-2H3,(H,31,36)(H,32,37)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11824 (Azepane Derivative 5 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11821 ((3R,4R)-N-(4-{4-[5-(4,4-dimethylpiperidin-1-yl)-2-...) Show SMILES CC1(C)CCN(CC1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C33H39N5O4/c1-33(2)13-18-38(19-14-33)25-9-10-29(39)26(20-25)30(40)22-5-7-23(8-6-22)31(41)36-27-4-3-15-35-21-28(27)37-32(42)24-11-16-34-17-12-24/h5-12,16-17,20,27-28,35,39H,3-4,13-15,18-19,21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1361 (9b-(naphthalen-1-yl)-2H,3H,5H,9bH-isoindolo[1,2-b]...) Show SMILES O=C1N2CCSC2(c2ccccc12)c1cccc2ccccc12 Show InChI InChI=1S/C20H15NOS/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50010223 ((S)-7-Allyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-...) Show SMILES CC1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |(15.04,-5.91,;13.5,-5.93,;12.84,-4.55,;11.35,-4.21,;10.14,-5.17,;10.14,-6.71,;11.35,-7.67,;12.84,-7.33,;13.8,-8.55,;13.22,-9.98,;14.18,-11.19,;13.6,-12.63,;15.71,-10.98,;8.81,-7.48,;7.48,-6.71,;7.48,-5.17,;8.81,-4.4,;9.14,-2.88,;10.79,-2.76,;11.7,-1.5,)| Show InChI InChI=1S/C16H21N3S/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11827 (Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1354 (9-Phenyl-2,3-Dihydrothiazola[2,3-a]isoindol-5(9bH)...) Show SMILES O=C1N2CCSC2(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11824 (Azepane Derivative 5 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11827 (Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11819 ((3R,4R)-N-{4-[4-(2-hydroxy-5-piperidin-1-ylbenzoyl...) Show SMILES Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r| Show InChI InChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1434 (11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...) Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12 Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11818 ((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...) Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	7.5	22
Max-Planck-Institut fuer Biochemie					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11826 (Azepane Derivative 7 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)18-6-4-17(5-7-18)15-31-20-3-2-12-30-16-21(20)32-27(35)19-10-13-29-14-11-19/h4-11,13-14,20-21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50033579 (16-thia-9-azatetracyclo[7.6.3.02,7.010,15]octadeca...) Show SMILES O=C1N2CCS[C@@H](c3ccccc23)c2ccccc12 |THB:8:7:1.18.13:5.3.4,11:12:1.18.13:5.3.4| Show InChI InChI=1S/C16H13NOS/c18-16-12-6-2-1-5-11(12)15-13-7-3-4-8-14(13)17(16)9-10-19-15/h1-8,15H,9-10H2/t15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11821 ((3R,4R)-N-(4-{4-[5-(4,4-dimethylpiperidin-1-yl)-2-...) Show SMILES CC1(C)CCN(CC1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C33H39N5O4/c1-33(2)13-18-38(19-14-33)25-9-10-29(39)26(20-25)30(40)22-5-7-23(8-6-22)31(41)36-27-4-3-15-35-21-28(27)37-32(42)24-11-16-34-17-12-24/h5-12,16-17,20,27-28,35,39H,3-4,13-15,18-19,21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11820 ((3R,4R)-N-(4-{4-[5-(3,3-dimethylpiperidin-1-yl)-2-...) Show SMILES CC1(C)CCCN(C1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r| Show InChI InChI=1S/C33H39N5O4/c1-33(2)14-4-18-38(21-33)25-10-11-29(39)26(19-25)30(40)22-6-8-23(9-7-22)31(41)36-27-5-3-15-35-20-28(27)37-32(42)24-12-16-34-17-13-24/h6-13,16-17,19,27-28,35,39H,3-5,14-15,18,20-21H2,1-2H3,(H,36,41)(H,37,42)/t27-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11818 ((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...) Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r| Show InChI InChI=1S/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.2	22
Max-Planck-Institut fuer Biochemie					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 48: 163-70 (2005) Article DOI: 10.1021/jm049701n BindingDB Entry DOI: 10.7270/Q21C1V3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11826 (Azepane Derivative 7 | N-((3R,4R)-4-{[4-(2-fluoro-...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)18-6-4-17(5-7-18)15-31-20-3-2-12-30-16-21(20)32-27(35)19-10-13-29-14-11-19/h4-11,13-14,20-21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50033578 (9b-Phenyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindol-...) Show SMILES O=C1c2ccccc2[C@@]23CC=CCC12c1ccccc1C3=O |c:11| Show InChI InChI=1S/C20H14O2/c21-17-13-7-1-3-9-15(13)19-11-5-6-12-20(17,19)16-10-4-2-8-14(16)18(19)22/h1-10H,11-12H2/t19-,20?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase				J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM11825 (Azepane Derivative 6 | N-[(3S,4S)-4-({[4-(2-fluoro...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)17-4-6-20(7-5-17)31-15-19-3-2-12-30-16-21(19)32-27(35)18-10-13-29-14-11-18/h4-11,13-14,19,21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.5	22
Roche Diagnostics GmbH					Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM11825 (Azepane Derivative 6 | N-[(3S,4S)-4-({[4-(2-fluoro...) Show SMILES COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r| Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)17-4-6-20(7-5-17)31-15-19-3-2-12-30-16-21(19)32-27(35)18-10-13-29-14-11-18/h4-11,13-14,19,21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	7.2	22
Roche Diagnostics GmbH					Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...				J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX
					More data for this Ligand-Target Pair