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BDBM50117625 CHEMBL3613616

SMILES: COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1

InChI Key: InChIKey=WLWQRWYWHSJFFX-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50117625   
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))
BDBM50117625
PNG
(CHEMBL3613616)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-16(25)12-3-2-4-13(9-12)23-17(26)18(20)5-7-24(8-6-18)15-10-14(19)21-11-22-15/h2-4,9-11H,5-8,20H2,1H3,(H,23,26)(H2,19,21,22)
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PC cid
PC sid
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PubMed
n/an/a 945n/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)


BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117625
PNG
(CHEMBL3613616)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-16(25)12-3-2-4-13(9-12)23-17(26)18(20)5-7-24(8-6-18)15-10-14(19)21-11-22-15/h2-4,9-11H,5-8,20H2,1H3,(H,23,26)(H2,19,21,22)
PDB
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PubMed
n/an/a 4.56E+3n/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)


BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117625
PNG
(CHEMBL3613616)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-16(25)12-3-2-4-13(9-12)23-17(26)18(20)5-7-24(8-6-18)15-10-14(19)21-11-22-15/h2-4,9-11H,5-8,20H2,1H3,(H,23,26)(H2,19,21,22)
PDB
MMDB

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PC cid
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PubMed
n/an/a 2.06E+3n/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)


BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117625
PNG
(CHEMBL3613616)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
Show InChI InChI=1S/C18H22N6O3/c1-27-16(25)12-3-2-4-13(9-12)23-17(26)18(20)5-7-24(8-6-18)15-10-14(19)21-11-22-15/h2-4,9-11H,5-8,20H2,1H3,(H,23,26)(H2,19,21,22)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair