BindingDB logo
myBDB logout

BDBM50087168 CHEMBL3426726

SMILES: NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F

InChI Key: InChIKey=JAODGKYXRMAVAA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50087168   
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))
BDBM50087168
PNG
(CHEMBL3426726)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C32H29FN4O4/c33-28-19-35-14-13-29(28)37-32(40)23-9-10-24(18-34)27(17-23)21-3-1-4-22(16-21)31(39)36-25-11-7-20(8-12-25)15-30(38)41-26-5-2-6-26/h1,3-4,7-14,16-17,19,26H,2,5-6,15,18,34H2,(H,36,39)(H,35,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/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))
BDBM50087168
PNG
(CHEMBL3426726)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C32H29FN4O4/c33-28-19-35-14-13-29(28)37-32(40)23-9-10-24(18-34)27(17-23)21-3-1-4-22(16-21)31(39)36-25-11-7-20(8-12-25)15-30(38)41-26-5-2-6-26/h1,3-4,7-14,16-17,19,26H,2,5-6,15,18,34H2,(H,36,39)(H,35,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/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