Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'lehmann' and Initial = 'w'   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	46.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092739 (CHEMBL126131 | N-(2-Diethylamino-ethyl)-5-iodo-2-m...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)ccc1OC Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092741 (CHEMBL338468 | N-(2-Diethylamino-ethyl)-3-iodo-4-m...) Show SMILES CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1 Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)11-6-7-13(19-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092738 (4-Amino-5-bromo-N-(2-diethylamino-ethyl)-3-iodo-2-...) Show SMILES CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC Show InChI InChI=1S/C14H21BrIN3O2/c1-4-19(5-2)7-6-18-14(20)9-8-10(15)12(17)11(16)13(9)21-3/h8H,4-7,17H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092737 (CHEMBL339009 | N-(2-Diethylamino-ethyl)-2-iodo-5-m...) Show SMILES CCN(CC)CCNC(=O)c1cc(OC)ccc1I Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(19-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092737 (CHEMBL339009 | N-(2-Diethylamino-ethyl)-2-iodo-5-m...) Show SMILES CCN(CC)CCNC(=O)c1cc(OC)ccc1I Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(19-3)6-7-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092736 (4-Amino-N-(2-diethylamino-ethyl)-5-iodo-2-methoxy-...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC Show InChI InChI=1S/C14H22IN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	484	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092739 (CHEMBL126131 | N-(2-Diethylamino-ethyl)-5-iodo-2-m...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)ccc1OC Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)12-10-11(15)6-7-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092738 (4-Amino-5-bromo-N-(2-diethylamino-ethyl)-3-iodo-2-...) Show SMILES CCN(CC)CCNC(=O)c1cc(Br)c(N)c(I)c1OC Show InChI InChI=1S/C14H21BrIN3O2/c1-4-19(5-2)7-6-18-14(20)9-8-10(15)12(17)11(16)13(9)21-3/h8H,4-7,17H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092742 (4-Acetylamino-N-(2-diethylamino-ethyl)-3-iodo-benz...) Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1 Show InChI InChI=1S/C15H22IN3O2/c1-4-19(5-2)9-8-17-15(21)12-6-7-14(13(16)10-12)18-11(3)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092740 (4-Acetylamino-N-(2-diethylamino-ethyl)-5-iodo-2-me...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C16H24IN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092741 (CHEMBL338468 | N-(2-Diethylamino-ethyl)-3-iodo-4-m...) Show SMILES CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1 Show InChI InChI=1S/C14H21IN2O2/c1-4-17(5-2)9-8-16-14(18)11-6-7-13(19-3)12(15)10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092736 (4-Amino-N-(2-diethylamino-ethyl)-5-iodo-2-methoxy-...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(N)cc1OC Show InChI InChI=1S/C14H22IN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092740 (4-Acetylamino-N-(2-diethylamino-ethyl)-5-iodo-2-me...) Show SMILES CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC Show InChI InChI=1S/C16H24IN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50092742 (4-Acetylamino-N-(2-diethylamino-ethyl)-3-iodo-benz...) Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1 Show InChI InChI=1S/C15H22IN3O2/c1-4-19(5-2)9-8-17-15(21)12-6-7-14(13(16)10-12)18-11(3)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Heidelberg Curated by ChEMBL					Assay Description Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.				J Med Chem 43: 3913-22 (2000) BindingDB Entry DOI: 10.7270/Q2G44PJ9
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-33P] ATP. After incubatio...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A] (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [E127D] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A] (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<45	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,E127D,Q181K,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M] (Bos taurus (bovine))	BDBM14030 (KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...) Show SMILES [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha [V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [V123M,T183A] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [E127D] (Bos taurus (bovine))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	493	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Bos taurus (bovine))	BDBM14029 ((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...) Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [Q181K,T183A] (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	541	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [T183A] (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	607	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,Q181K,T183A] (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I] (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	893	n/a	n/a	n/a	n/a	6.8	25
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha [L49I,V123M,Q181K,T183A] (Bos taurus (bovine))	BDBM14027 (5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...) Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
German Cancer Research Center					Assay Description The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...				J Biol Chem 281: 24818-30 (2006) Article DOI: 10.1074/jbc.M512374200 BindingDB Entry DOI: 10.7270/Q2PG1PZV
					More data for this Ligand-Target Pair				3D Structure (crystal)

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