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BDBM50087169 CHEMBL3426725

SMILES: NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F

InChI Key: InChIKey=BHTRISXBMWEIOP-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087169   
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))
BDBM50087169
PNG
(CHEMBL3426725)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-20-36-13-10-30(29)38-33(41)24-6-7-25(19-35)28(18-24)22-2-1-3-23(17-22)32(40)37-26-8-4-21(5-9-26)16-31(39)43-27-11-14-42-15-12-27/h1-10,13,17-18,20,27H,11-12,14-16,19,35H2,(H,37,40)(H,36,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50087169
PNG
(CHEMBL3426725)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C33H31FN4O5/c34-29-20-36-13-10-30(29)38-33(41)24-6-7-25(19-35)28(18-24)22-2-1-3-23(17-22)32(40)37-26-8-4-21(5-9-26)16-31(39)43-27-11-14-42-15-12-27/h1-10,13,17-18,20,27H,11-12,14-16,19,35H2,(H,37,40)(H,36,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Agoralaan Abis

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometr...


J Med Chem 58: 4309-24 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00308
BindingDB Entry DOI: 10.7270/Q2H41T4R
More data for this
Ligand-Target Pair