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Compile Data Set for Download or QSAR

Found 151 hits Enz. Inhib. hit(s) with Target = 'CaM kinase I alpha'   
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
CaM kinase I alpha


(Zea mays)
BDBM50366583
PNG
(CHEMBL610874)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C52H94N30O12/c53-37-33-38(74-24-73-37)82(25-75-33)45-35(85)34(84)36(94-45)44(91)66-17-3-1-2-16-32(83)76-26(10-4-18-67-47(54)55)39(86)77-27(11-5-19-68-48(56)57)40(87)78-28(12-6-20-69-49(58)59)41(88)79-29(13-7-21-70-50(60)61)42(89)80-30(14-8-22-71-51(62)63)43(90)81-31(46(92)93)15-9-23-72-52(64)65/h24-31,34-36,45,84-85H,1-23H2,(H,66,91)(H,76,83)(H,77,86)(H,78,87)(H,79,88)(H,80,89)(H,81,90)(H,92,93)(H2,53,73,74)(H4,54,55,67)(H4,56,57,68)(H4,58,59,69)(H4,60,61,70)(H4,62,63,71)(H4,64,65,72)/t26-,27-,28-,29-,30-,31-,34+,35-,36+,45?/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50222913
PNG
(4'-{5-[4-(isopropylamino-methyl)-phenylamino]-2H-p...)
Show SMILES CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)13-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CAMK1


J Med Chem 50: 5253-6 (2007)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366588
PNG
(CHEMBL610876)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C54H98N30O12/c55-39-35-40(76-26-75-39)84(27-77-35)47-37(87)36(86)38(96-47)46(93)68-19-5-3-1-2-4-18-34(85)78-28(12-6-20-69-49(56)57)41(88)79-29(13-7-21-70-50(58)59)42(89)80-30(14-8-22-71-51(60)61)43(90)81-31(15-9-23-72-52(62)63)44(91)82-32(16-10-24-73-53(64)65)45(92)83-33(48(94)95)17-11-25-74-54(66)67/h26-33,36-38,47,86-87H,1-25H2,(H,68,93)(H,78,85)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,94,95)(H2,55,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29-,30-,31-,32-,33-,36+,37-,38+,47?/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 3.88E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366590
PNG
(CHEMBL611121)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C57H104N30O12/c58-42-38-43(79-29-78-42)87(30-80-38)50-40(90)39(89)41(99-50)49(96)71-22-8-6-4-2-1-3-5-7-21-37(88)81-31(15-9-23-72-52(59)60)44(91)82-32(16-10-24-73-53(61)62)45(92)83-33(17-11-25-74-54(63)64)46(93)84-34(18-12-26-75-55(65)66)47(94)85-35(19-13-27-76-56(67)68)48(95)86-36(51(97)98)20-14-28-77-57(69)70/h29-36,39-41,50,89-90H,1-28H2,(H,71,96)(H,81,88)(H,82,91)(H,83,92)(H,84,93)(H,85,94)(H,86,95)(H,97,98)(H2,58,78,79)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)(H4,69,70,77)/t31-,32-,33-,34-,35-,36-,39+,40-,41+,50?/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50425008
PNG
(CHEMBL2312185)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin)


J Med Chem 56: 640-59 (2013)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
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 CAMK1alpha using [KKALRRQETVDAL] as substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin)


J Med Chem 56: 2218-34 (2013)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366589
PNG
(CHEMBL610875)
Show SMILES C[C@@H](NC(=O)CCNC(=O)CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C55H98N32O14/c1-26(80-34(89)15-22-69-33(88)14-23-70-47(98)38-36(90)37(91)48(101-38)87-25-79-35-39(56)77-24-78-40(35)87)41(92)81-27(8-2-16-71-50(57)58)42(93)82-28(9-3-17-72-51(59)60)43(94)83-29(10-4-18-73-52(61)62)44(95)84-30(11-5-19-74-53(63)64)45(96)85-31(12-6-20-75-54(65)66)46(97)86-32(49(99)100)13-7-21-76-55(67)68/h24-32,36-38,48,90-91H,2-23H2,1H3,(H,69,88)(H,70,98)(H,80,89)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,96)(H,86,97)(H,99,100)(H2,56,77,78)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t26-,27-,28-,29-,30-,31-,32-,36+,37-,38+,48?/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366582
PNG
(CHEMBL611125)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C50H90N30O12/c51-35-31-36(72-22-71-35)80(23-73-31)43-33(83)32(82)34(92-43)42(89)64-15-7-14-30(81)74-24(8-1-16-65-45(52)53)37(84)75-25(9-2-17-66-46(54)55)38(85)76-26(10-3-18-67-47(56)57)39(86)77-27(11-4-19-68-48(58)59)40(87)78-28(12-5-20-69-49(60)61)41(88)79-29(44(90)91)13-6-21-70-50(62)63/h22-29,32-34,43,82-83H,1-21H2,(H,64,89)(H,74,81)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,79,88)(H,90,91)(H2,51,71,72)(H4,52,53,65)(H4,54,55,66)(H4,56,57,67)(H4,58,59,68)(H4,60,61,69)(H4,62,63,70)/t24-,25-,26-,27-,28-,29-,32+,33-,34+,43?/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50425864
PNG
(CHEMBL2312649)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 1.97E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50425863
PNG
(CHEMBL2312652)
Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CAMK1 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366585
PNG
(CHEMBL611120)
Show SMILES C[C@@H](N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C58H101N31O13/c1-28(87-24-9-17-36(87)50(99)88-25-8-16-35(88)38(90)41-39(91)40(92)51(102-41)89-27-80-37-42(59)78-26-79-43(37)89)44(93)81-29(10-2-18-72-53(60)61)45(94)82-30(11-3-19-73-54(62)63)46(95)83-31(12-4-20-74-55(64)65)47(96)84-32(13-5-21-75-56(66)67)48(97)85-33(14-6-22-76-57(68)69)49(98)86-34(52(100)101)15-7-23-77-58(70)71/h26-36,39-41,51,91-92H,2-25H2,1H3,(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,85,97)(H,86,98)(H,100,101)(H2,59,78,79)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)/t28-,29-,30-,31-,32-,33-,34-,35-,36+,39+,40-,41-,51?/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366584
PNG
(CHEMBL605688)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C28H46N14O8/c29-21-17-22(38-12-37-21)42(13-39-17)25-19(45)18(44)20(50-25)24(47)34-9-3-1-2-8-16(43)40-14(6-4-10-35-27(30)31)23(46)41-15(26(48)49)7-5-11-36-28(32)33/h12-15,18-20,25,44-45H,1-11H2,(H,34,47)(H,40,43)(H,41,46)(H,48,49)(H2,29,37,38)(H4,30,31,35)(H4,32,33,36)/t14-,15-,18+,19-,20+,25?/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366580
PNG
(CHEMBL611122)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C49H88N30O12/c50-34-30-35(71-21-70-34)79(22-72-30)42-32(82)31(81)33(91-42)41(88)63-20-13-29(80)73-23(7-1-14-64-44(51)52)36(83)74-24(8-2-15-65-45(53)54)37(84)75-25(9-3-16-66-46(55)56)38(85)76-26(10-4-17-67-47(57)58)39(86)77-27(11-5-18-68-48(59)60)40(87)78-28(43(89)90)12-6-19-69-49(61)62/h21-28,31-33,42,81-82H,1-20H2,(H,63,88)(H,73,80)(H,74,83)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,89,90)(H2,50,70,71)(H4,51,52,64)(H4,53,54,65)(H4,55,56,66)(H4,57,58,67)(H4,59,60,68)(H4,61,62,69)/t23-,24-,25-,26-,27-,28-,31+,32-,33+,42?/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50077788
PNG
((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-(2-Amino-5-guanidino...)
Show SMILES N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C36H74N24O7/c37-19(7-1-13-50-31(38)39)25(61)56-20(8-2-14-51-32(40)41)26(62)57-21(9-3-15-52-33(42)43)27(63)58-22(10-4-16-53-34(44)45)28(64)59-23(11-5-17-54-35(46)47)29(65)60-24(30(66)67)12-6-18-55-36(48)49/h19-24H,1-18,37H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)(H,60,65)(H,66,67)(H4,38,39,50)(H4,40,41,51)(H4,42,43,52)(H4,44,45,53)(H4,46,47,54)(H4,48,49,55)/t19-,20-,21-,22-,23-,24-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366586
PNG
(CHEMBL611127)
Show SMILES C[C@@H](NC(=O)C(CNC(=O)C(CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O)C(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C57H98N32O18/c1-24(82-41(94)26(50(103)104)21-77-40(93)25(49(101)102)20-78-47(100)36-34(90)35(91)48(107-36)89-23-81-33-37(58)79-22-80-38(33)89)39(92)83-27(8-2-14-71-52(59)60)42(95)84-28(9-3-15-72-53(61)62)43(96)85-29(10-4-16-73-54(63)64)44(97)86-30(11-5-17-74-55(65)66)45(98)87-31(12-6-18-75-56(67)68)46(99)88-32(51(105)106)13-7-19-76-57(69)70/h22-32,34-36,48,90-91H,2-21H2,1H3,(H,77,93)(H,78,100)(H,82,94)(H,83,92)(H,84,95)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H,101,102)(H,103,104)(H,105,106)(H2,58,79,80)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)/t24-,25?,26?,27-,28-,29-,30-,31-,32-,34+,35-,36+,48?/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50077782
PNG
((R)-2-{(R)-2-[2-((R)-2-{(R)-2-[2-(6-Acetylamino-he...)
Show SMILES CC(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C44H87N25O9/c1-25(70)57-18-4-2-3-17-32(71)64-26(11-5-19-58-39(45)46)33(72)65-27(12-6-20-59-40(47)48)34(73)66-28(13-7-21-60-41(49)50)35(74)67-29(14-8-22-61-42(51)52)36(75)68-30(15-9-23-62-43(53)54)37(76)69-31(38(77)78)16-10-24-63-44(55)56/h26-31H,2-24H2,1H3,(H,57,70)(H,64,71)(H,65,72)(H,66,73)(H,67,74)(H,68,75)(H,69,76)(H,77,78)(H4,45,46,58)(H4,47,48,59)(H4,49,50,60)(H4,51,52,61)(H4,53,54,62)(H4,55,56,63)/t26-,27-,28-,29-,30-,31-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366581
PNG
(CHEMBL611118)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C40H70N22O10/c41-29-25-30(56-18-55-29)62(19-57-25)35-27(65)26(64)28(72-35)34(69)50-13-3-1-2-12-24(63)58-20(8-4-14-51-37(42)43)31(66)59-21(9-5-15-52-38(44)45)32(67)60-22(10-6-16-53-39(46)47)33(68)61-23(36(70)71)11-7-17-54-40(48)49/h18-23,26-28,35,64-65H,1-17H2,(H,50,69)(H,58,63)(H,59,66)(H,60,67)(H,61,68)(H,70,71)(H2,41,55,56)(H4,42,43,51)(H4,44,45,52)(H4,46,47,53)(H4,48,49,54)/t20-,21-,22-,23-,26+,27-,28+,35?/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM50366587
PNG
(CHEMBL611123)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C48H86N30O12/c49-33-29-34(70-20-69-33)78(21-71-29)41-31(81)30(80)32(90-41)40(87)68-19-28(79)72-22(7-1-13-62-43(50)51)35(82)73-23(8-2-14-63-44(52)53)36(83)74-24(9-3-15-64-45(54)55)37(84)75-25(10-4-16-65-46(56)57)38(85)76-26(11-5-17-66-47(58)59)39(86)77-27(42(88)89)12-6-18-67-48(60)61/h20-27,30-32,41,80-81H,1-19H2,(H,68,87)(H,72,79)(H,73,82)(H,74,83)(H,75,84)(H,76,85)(H,77,86)(H,88,89)(H2,49,69,70)(H4,50,51,62)(H4,52,53,63)(H4,54,55,64)(H4,56,57,65)(H4,58,59,66)(H4,60,61,67)/t22-,23-,24-,25-,26-,27-,30+,31-,32+,41?/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Zea mays)
BDBM14487
PNG
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.16E+5n/an/an/an/an/an/a



Tartu University

Curated by ChEMBL


Assay Description
Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings


Bioorg Med Chem Lett 9: 1447-52 (1999)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
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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>1.68E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK1


Bioorg Med Chem Lett 17: 6593-601 (2007)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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n/an/an/a 3.00E+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
CaM kinase I alpha


(Homo sapiens)
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/a 5.00E+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
CaM kinase I alpha


(Homo sapiens)
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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n/an/an/a 2.10E+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
CaM kinase I alpha


(Homo sapiens)
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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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
CaM kinase I alpha


(Homo sapiens)
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 3.30E+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
CaM kinase I alpha


(Homo sapiens)
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 2.70E+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
CaM kinase I alpha


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 9.70E+5n/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
CaM kinase I alpha


(Homo sapiens)
BDBM2579
PNG
((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
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
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n/an/an/a 30n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CAMK1; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50024294
PNG
(SP-600125)
Show SMILES Oc1c2cccc3N=Nc(c23)c2ccccc12
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H
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n/an/an/a 4.10E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CAMK1; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | NA | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
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 130n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | NA | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM2579
PNG
((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
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
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n/an/an/a 27n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a 5.90E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
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 130n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM2579
PNG
((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
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
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n/an/an/a 27n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CAMK1


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | NA | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for full-length CAMK1


Nat Biotechnol 26: 127-32 (2008)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 2.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CAMK1; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Camk1


J Med Chem 51: 8012-8 (2008)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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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 CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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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 CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 970n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50300690
PNG
(CHEMBL576982 | N-(5-tert-Butyl-isoxazol-3-yl)-N'-{...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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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 CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50326054
PNG
(CHEMBL1240703 | NA)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1
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n/an/an/a 7.40E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK1


Blood 114: 2984-92 (2009)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
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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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
CaM kinase I alpha


(Homo sapiens)
BDBM50355494
PNG
(CHEMBL1908396)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK1 kinase domain


Nat Biotechnol 29: 1046-51 (2011)

More data for this
Ligand-Target Pair
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