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Compile Data Set for Download or QSAR

Found 167 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase MRCK-A' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM92596
PNG
(Sapintoxin D)
Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C
Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1
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5.90 -45.9n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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1.03E+3 -33.4n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50015677
PNG
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
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2.82E+3 -30.9n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>9.52E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC42BPA


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM92595
PNG
(DAG-lactone (130C045))
Show SMILES CN(C)c1ccc(\C=C2\CC(CO)(COC(=O)c3ccc(cc3)N(=O)=O)OC2=O)cc1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-3-15(4-8-18)11-17-12-22(13-25,31-21(17)27)14-30-20(26)16-5-9-19(10-6-16)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11-
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2.26E+4 -25.9n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50256383
PNG
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29)
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n/an/a 79n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50256322
PNG
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29)
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n/an/a 150n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50256163
PNG
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28)
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n/an/a 210n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 247n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
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n/an/a 333n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25473
PNG
(N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 367n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324574
PNG
((R)-6-Methoxy-N-(2-((1-methylpiperidin-4-yl)methox...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1
Show InChI InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1
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n/an/a 669n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324592
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C25H30FN5O2/c1-4-31-16-18-8-6-5-7-17(18)11-23(31)25(32)29-22-13-21(26)20(19-14-27-28-15-19)12-24(22)33-10-9-30(2)3/h5-8,12-15,23H,4,9-11,16H2,1-3H3,(H,27,28)(H,29,32)/t23-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430370
PNG
(CHEMBL2333906)
Show SMILES N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16FN5O/c20-14-4-1-11(2-5-14)7-16(21)18-24-17-6-3-12(13-9-22-23-10-13)8-15(17)19(26)25-18/h1-6,8-10,16H,7,21H2,(H,22,23)(H,24,25,26)/t16-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430371
PNG
(CHEMBL2333905)
Show SMILES N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16FN5O/c20-14-4-1-11(2-5-14)7-16(21)18-24-17-6-3-12(13-9-22-23-10-13)8-15(17)19(26)25-18/h1-6,8-10,16H,7,21H2,(H,22,23)(H,24,25,26)/t16-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430373
PNG
(CHEMBL2334293)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16ClN5O/c20-14-4-1-11(2-5-14)7-16(21)18-24-17-6-3-12(13-9-22-23-10-13)8-15(17)19(26)25-18/h1-6,8-10,16H,7,21H2,(H,22,23)(H,24,25,26)/t16-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDC42BPA


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430374
PNG
(CHEMBL2334292)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1
Show InChI InChI=1S/C21H19N5O/c27-21-16-8-14(15-9-23-24-10-15)6-7-19(16)25-20(26-21)18-12-22-11-17(18)13-4-2-1-3-5-13/h1-10,17-18,22H,11-12H2,(H,23,24)(H,25,26,27)/t17-,18+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430368
PNG
(CHEMBL2333908)
Show SMILES COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18FN5O2/c1-28-17-8-12(13-9-23-24-10-13)7-15-18(17)25-19(26-20(15)27)16(22)6-11-3-2-4-14(21)5-11/h2-5,7-10,16H,6,22H2,1H3,(H,23,24)(H,25,26,27)/t16-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430333
PNG
(CHEMBL2334288)
Show SMILES COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-5-2-11(3-6-14)17(20)18-23-16-7-4-12(13-9-21-22-10-13)8-15(16)19(25)24-18/h2-10,17H,20H2,1H3,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430367
PNG
(CHEMBL2333909)
Show SMILES COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C20H19N5O2/c1-27-15-5-2-12(3-6-15)8-17(21)19-24-18-7-4-13(14-10-22-23-11-14)9-16(18)20(26)25-19/h2-7,9-11,17H,8,21H2,1H3,(H,22,23)(H,24,25,26)/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430339
PNG
(CHEMBL2333879)
Show SMILES CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1
Show InChI InChI=1S/C23H24N6/c1-29(2)23-18-10-16(17-11-25-26-12-17)8-9-21(18)27-22(28-23)20-14-24-13-19(20)15-6-4-3-5-7-15/h3-12,19-20,24H,13-14H2,1-2H3,(H,25,26)/t19-,20+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430345
PNG
(CHEMBL2333887)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C23H23N5O2/c1-28-12-19(14-3-6-17(30-2)7-4-14)20(13-28)22-26-21-8-5-15(16-10-24-25-11-16)9-18(21)23(29)27-22/h3-11,19-20H,12-13H2,1-2H3,(H,24,25)(H,26,27,29)/t19-,20+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430348
PNG
(CHEMBL2333884)
Show SMILES NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C26H21ClN6O2/c27-20-8-5-16(6-9-20)23(32-25(34)17-3-1-15(12-28)2-4-17)24-31-22-10-7-18(19-13-29-30-14-19)11-21(22)26(35)33-24/h1-11,13-14,23H,12,28H2,(H,29,30)(H,32,34)(H,31,33,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430376
PNG
(CHEMBL2333882)
Show SMILES CN(C)CC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C22H21ClN6O2/c1-29(2)12-19(30)27-20(13-3-6-16(23)7-4-13)21-26-18-8-5-14(15-10-24-25-11-15)9-17(18)22(31)28-21/h3-11,20H,12H2,1-2H3,(H,24,25)(H,27,30)(H,26,28,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430377
PNG
(CHEMBL2333898)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C21H18ClN5O/c22-15-4-1-12(2-5-15)17-10-23-11-18(17)20-26-19-6-3-13(14-8-24-25-9-14)7-16(19)21(28)27-20/h1-9,17-18,23H,10-11H2,(H,24,25)(H,26,27,28)/t17-,18+/m0/s1
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Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430357
PNG
(CHEMBL2333896)
Show SMILES COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16ClN5O2/c1-27-15-7-11(12-8-22-23-9-12)6-14-17(15)24-18(25-19(14)26)16(21)10-3-2-4-13(20)5-10/h2-9,16H,21H2,1H3,(H,22,23)(H,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50430359
PNG
(CHEMBL2333894)
Show SMILES NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C18H14ClN5O/c19-13-3-1-2-11(6-13)16(20)17-23-15-5-4-10(12-8-21-22-9-12)7-14(15)18(25)24-17/h1-9,16H,20H2,(H,21,22)(H,23,24,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25474
PNG
(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
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n/an/a 1.19E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


Citation and Details
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
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n/an/a 1.19E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50431138
PNG
(CHEMBL2332097)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24)
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n/an/a 1.85E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
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n/an/a 4.31E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 4.85E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324575
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
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n/an/a 5.35E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50431131
PNG
(CHEMBL2332056)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1cccc(F)c1
Show InChI InChI=1S/C19H19FN4O2/c20-16-3-1-2-14(10-16)18(8-9-25)24-19(26)23-17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18,25H,8-9H2,(H,21,22)(H2,23,24,26)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25471
PNG
(N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
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n/an/a 7.05E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311726
PNG
(CHEMBL1081196 | N-ethyl-N-(3-methoxybenzyl)-6-(1H-...)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N4O2S/c1-3-25(13-14-5-4-6-17(9-14)27-2)21(26)20-24-18-8-7-15(10-19(18)28-20)16-11-22-23-12-16/h4-12H,3,13H2,1-2H3,(H,22,23)
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n/an/a 7.86E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
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n/an/a 8.70E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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n/an/a 9.55E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK-A


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human MRCKalpha using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM92594
PNG
(Phorbol ester (PDBU))
Show SMILES CCCC(=O)O[C@@H]1[C@H](C)[C@@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(=O)CC2C2C(C)(C)[C@@]12OC(=O)CCC
Show InChI InChI=1S/C27H38O8/c1-7-9-19(29)34-23-15(4)26(33)17(21-24(5,6)27(21,23)35-20(30)10-8-2)12-16(28)13-25(32)18(26)11-14(3)22(25)31/h11,15,17-18,21,23,32-33H,7-10,12-13H2,1-6H3/t15-,17?,18?,21?,23+,25+,26-,27-/m0/s1
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PubMed
n/an/an/a 10.3n/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


Citation and Details
More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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PCBioAssay
n/an/an/a 9.40E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 2.00E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 9.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 1.80E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/an/a 6.20E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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+/m0/s1
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n/an/an/a 5.70E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
MRCKA


(Homo sapiens (Human))
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 2.60E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MRCKA


Citation and Details
More data for this
Ligand-Target Pair
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