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BDBM50364652 CHEMBL1951350

SMILES: CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1

InChI Key: InChIKey=IVWHDODYYCRXLZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50364652   
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 2


(Homo sapiens (Human))
BDBM50364652
PNG
(CHEMBL1951350)
Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50364652
PNG
(CHEMBL1951350)
Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis


Bioorg Med Chem Lett 22: 1611-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50364652
PNG
(CHEMBL1951350)
Show SMILES CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C24H25N7O3/c1-4-31-20-19(25-13-26-21(20)30-24(31)34)15-8-10-17(11-9-15)28-23(33)29-18-7-5-6-16(12-18)22(32)27-14(2)3/h5-14H,4H2,1-3H3,(H,27,32)(H2,28,29,33)(H,25,26,30,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP


J Med Chem 58: 1846-61 (2015)


Article DOI: 10.1021/jm501680m
BindingDB Entry DOI: 10.7270/Q2K64KRC
More data for this
Ligand-Target Pair