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5 similar compounds to monomer 50117489

Compile data set for download or QSAR
Wt: 1098.3
BDBM50117487
Wt: 1098.3
BDBM50117495
Wt: 1072.2
BDBM50117497
Wt: 1072.2
BDBM50117498
Wt: 493.6
BDBM50117500

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50117487,50117495,50117497,50117498,50117500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50117498
PNG
(CHEMBL415127 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(D)-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37+,38-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein


Bioorg Med Chem Lett 12: 2501-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00508-5
BindingDB Entry DOI: 10.7270/Q2CC101N
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50117487
PNG
(CHEMBL216619 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39+,40-/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein


Bioorg Med Chem Lett 12: 2501-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00508-5
BindingDB Entry DOI: 10.7270/Q2CC101N
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50117495
PNG
(CHEMBL385674 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](OC(C)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39-,40+/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein


Bioorg Med Chem Lett 12: 2501-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00508-5
BindingDB Entry DOI: 10.7270/Q2CC101N
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50117497
PNG
(CHEMBL266900 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein


Bioorg Med Chem Lett 12: 2501-5 (2002)


Article DOI: 10.1016/s0960-894x(02)00508-5
BindingDB Entry DOI: 10.7270/Q2CC101N
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair