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BDBM50027431 HYDROXYFASUDIL::Hydroxy-Fasudil

SMILES: Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1

InChI Key: InChIKey=ZAVGJDAFCZAWSZ-UHFFFAOYSA-N

Data: 2 KI

PDB links: 2 PDB IDs match this monomer.

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 = 50027431   
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


(Homo sapiens (human))
BDBM50027431
PNG
(HYDROXYFASUDIL | Hydroxy-Fasudil)
Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
150n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

Curated by ChEMBL


Assay Description
Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase co...


J Med Chem 58: 5028-37 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50027431
PNG
(HYDROXYFASUDIL | Hydroxy-Fasudil)
Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
150n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


J Med Chem 53: 759-77 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)