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BDBM50196697 1-benzyl-3-(1H-indazol-5-yl)urea::CHEMBL225282::N-benzyl-N0-(1H-5-indazolyl)urea::US9409868, 12

SMILES: O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=CXBJSHXVWUZPRT-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50196697   
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 1 (ROCK1)


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB

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PC sid
UniChem

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US Patent
n/an/a 1.39E+4n/an/an/an/a7.525



H. Lee Moffin Cancer Center and Research Institute, Inc.

US Patent


Assay Description
A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...


US Patent US9409868 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KT0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK2)


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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US Patent
n/an/a 5.50E+3n/an/an/an/a7.525



H. Lee Moffin Cancer Center and Research Institute, Inc.

US Patent


Assay Description
A robust FRET-based, enzyme-coupled assay format, Z-Lyte® Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this stu...


US Patent US9409868 (2016)


BindingDB Entry DOI: 10.7270/Q2X63KT0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay


J Med Chem 55: 2474-8 (2012)


Article DOI: 10.1021/jm201289r
BindingDB Entry DOI: 10.7270/Q2MG7QH3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay


J Med Chem 55: 2474-8 (2012)


Article DOI: 10.1021/jm201289r
BindingDB Entry DOI: 10.7270/Q2MG7QH3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50196697
PNG
(1-benzyl-3-(1H-indazol-5-yl)urea | CHEMBL225282 | ...)
Show SMILES O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Kirin Brewery Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase


Bioorg Med Chem 15: 350-64 (2006)


Article DOI: 10.1016/j.bmc.2006.09.052
BindingDB Entry DOI: 10.7270/Q2T43TW5
More data for this
Ligand-Target Pair