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6 similar compounds to monomer 50191945

Compile data set for download or QSAR
Wt: 265.2
BDBM50191933
Wt: 436.3
BDBM50191937
Wt: 370.3
BDBM50191940
Wt: 366.3
BDBM50191941
Wt: 260.2
BDBM50191938
Wt: 376.4
BDBM50191944

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50191933,50191937,50191940,50191941,50191938,50191944   
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
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191941
PNG
(CHEMBL1761586)
Show SMILES Cc1ccc2NC(=O)\C(=N/N=C3\SCC(=O)N3c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C18H14N4O3S/c1-10-2-7-14-13(8-10)16(17(25)19-14)20-21-18-22(15(24)9-26-18)11-3-5-12(23)6-4-11/h2-8,23H,9H2,1H3,(H,19,20,25)/b21-18-
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191940
PNG
(CHEMBL1761587)
Show SMILES Oc1ccc(cc1)N1C(=O)CS\C1=N/N=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C17H11FN4O3S/c18-9-1-6-13-12(7-9)15(16(25)19-13)20-21-17-22(14(24)8-26-17)10-2-4-11(23)5-3-10/h1-7,23H,8H2,(H,19,20,25)/b21-17-
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50191944
PNG
(CHEMBL3987154)
Show SMILES Cc1ccc(cc1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C23H16N6/c1-14-2-4-15(5-3-14)19-9-17-21(10-24-19)25-11-22-23(17)29(13-28-22)16-6-7-18-20(8-16)27-12-26-18/h2-13H,1H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00598
BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191937
PNG
(CHEMBL1761719)
Show SMILES Oc1ccc(cc1)N1C(=O)CS\C1=N/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C18H11F3N4O4S/c19-18(20,21)29-11-5-6-13-12(7-11)15(16(28)22-13)23-24-17-25(14(27)8-30-17)9-1-3-10(26)4-2-9/h1-7,26H,8H2,(H,22,23,28)/b24-17-
PDB

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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191938
PNG
(CHEMBL1761730)
Show SMILES O=C1CS\C(N1)=N/N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H8N4O2S/c16-8-5-18-11(13-8)15-14-9-6-3-1-2-4-7(6)12-10(9)17/h1-4H,5H2,(H,12,14,17)(H,13,15,16)
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1


(Homo sapiens (Human))
BDBM50191933
PNG
(CHEMBL1761750)
Show SMILES Oc1cccc(c1)C(=O)\C=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15(19)9-13-12-6-1-2-7-14(12)17-16(13)20/h1-9,18H,(H,17,20)/b13-9-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Myrexis, Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay


Bioorg Med Chem Lett 21: 1724-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.077
BindingDB Entry DOI: 10.7270/Q2988794
More data for this
Ligand-Target Pair