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BDBM50299583 (S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide::CHEMBL570126

SMILES: C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12

InChI Key: InChIKey=KSECQYDNQYAZMQ-AWEZNQCLSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50299583   
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
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2


J Med Chem 52: 6515-8 (2009)

More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens)
BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting


J Med Chem 52: 6515-8 (2009)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus system


J Med Chem 52: 6515-8 (2009)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens)
BDBM50299583
PNG
((S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-(5-methy...)
Show SMILES C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of LIMK1


J Med Chem 52: 6515-8 (2009)

More data for this
Ligand-Target Pair