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SMILES: COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](CC1)c1ccncc1

InChI Key:

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 = 50597479   
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
cGMP-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50597479
PNG
(CHEMBL5184099)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](CC1)c1ccncc1 |r,wU:16.20,8.9,wD:13.13,(8.46,.72,;7.68,2.05,;6.14,2.04,;5.37,3.37,;3.83,3.36,;3.06,2.02,;3.84,.7,;5.38,.7,;3.08,-.64,;3.86,-1.97,;1.54,-.65,;.78,-1.99,;1.56,-3.32,;-.76,-2,;-1.54,-.67,;-3.08,-.68,;-3.84,-2.02,;-3.06,-3.35,;-1.52,-3.34,;-5.38,-2.02,;-6.16,-.7,;-7.7,-.7,;-8.46,-2.04,;-7.68,-3.37,;-6.14,-3.36,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00474
BindingDB Entry DOI: 10.7270/Q2P2735N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50597479
PNG
(CHEMBL5184099)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](CC1)c1ccncc1 |r,wU:16.20,8.9,wD:13.13,(8.46,.72,;7.68,2.05,;6.14,2.04,;5.37,3.37,;3.83,3.36,;3.06,2.02,;3.84,.7,;5.38,.7,;3.08,-.64,;3.86,-1.97,;1.54,-.65,;.78,-1.99,;1.56,-3.32,;-.76,-2,;-1.54,-.67,;-3.08,-.68,;-3.84,-2.02,;-3.06,-3.35,;-1.52,-3.34,;-5.38,-2.02,;-6.16,-.7,;-7.7,-.7,;-8.46,-2.04,;-7.68,-3.37,;-6.14,-3.36,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00474
BindingDB Entry DOI: 10.7270/Q2P2735N
More data for this
Ligand-Target Pair