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SMILES: CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1

InChI Key: InChIKey=DXAVMMHZLHOUCW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308857   
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))
BDBM50308857
PNG
(3-[3-(3-Chloro-4-amido-phenyl)-ureidomethyl]-N-(4-...)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
Show InChI InChI=1S/C25H26ClN5O3/c1-31(2)15-16-6-8-19(9-7-16)29-24(33)18-5-3-4-17(12-18)14-28-25(34)30-20-10-11-21(23(27)32)22(26)13-20/h3-13H,14-15H2,1-2H3,(H2,27,32)(H,29,33)(H2,28,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 by IMAP assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50308857
PNG
(3-[3-(3-Chloro-4-amido-phenyl)-ureidomethyl]-N-(4-...)
Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
Show InChI InChI=1S/C25H26ClN5O3/c1-31(2)15-16-6-8-19(9-7-16)29-24(33)18-5-3-4-17(12-18)14-28-25(34)30-20-10-11-21(23(27)32)22(26)13-20/h3-13H,14-15H2,1-2H3,(H2,27,32)(H,29,33)(H2,28,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK2 by homogenous luciferase assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair