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PubMed code 25941551

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50089584
PNG
(CHEMBL3578252)
Show SMILES CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1
Show InChI InChI=1S/C24H24N2O3/c1-4-22-21-13-17(8-9-19(21)20-10-11-25-14-23(20)29-22)24(27)26-15(2)16-6-5-7-18(12-16)28-3/h5-15,22H,4H2,1-3H3,(H,26,27)/t15-,22?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH


ACS Med Chem Lett 6: 371-2 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00079
BindingDB Entry DOI: 10.7270/Q2571DRS
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50089582
PNG
(CHEMBL3578250)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
Show InChI InChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(10-15)26-2)24-22(25)16-6-7-20-19-8-9-23-12-17(19)13-27-21(20)11-16/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH


ACS Med Chem Lett 6: 371-2 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00079
BindingDB Entry DOI: 10.7270/Q2571DRS
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50089586
PNG
(CHEMBL3578253)
Show SMILES CCn1c2cnccc2c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1
Show InChI InChI=1S/C23H23N3O2/c1-4-26-21-13-17(8-9-19(21)20-10-11-24-14-22(20)26)23(27)25-15(2)16-6-5-7-18(12-16)28-3/h5-15H,4H2,1-3H3,(H,25,27)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH


ACS Med Chem Lett 6: 371-2 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00079
BindingDB Entry DOI: 10.7270/Q2571DRS
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50089583
PNG
(CHEMBL3578251)
Show SMILES Cc1c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cnn1C
Show InChI InChI=1S/C19H18N4O2/c1-12-14(10-22-23(12)2)9-21-19(24)13-3-4-17-16-5-6-20-8-15(16)11-25-18(17)7-13/h3-8,10H,9,11H2,1-2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.92E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH


ACS Med Chem Lett 6: 371-2 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00079
BindingDB Entry DOI: 10.7270/Q2571DRS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%