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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'ROCK Complex'   
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
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148413
PNG
(US9682963, 6)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H25FN4O4S/c31-25-17-33-12-10-26(25)35-29(37)20-4-5-21(16-32)24(15-20)18-2-1-3-19(14-18)28(36)34-22-6-8-23(9-7-22)40-27-11-13-39-30(27)38/h1-10,12,14-15,17,27H,11,13,16,32H2,(H,34,36)(H,33,35,37)
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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148423
PNG
(US9682963, 12)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1F)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H24F2N4O4S/c31-23-14-21(41-27-9-11-40-30(27)39)6-7-25(23)35-28(37)18-3-1-2-17(12-18)22-13-19(4-5-20(22)15-33)29(38)36-26-8-10-34-16-24(26)32/h1-8,10,12-14,16,27H,9,11,15,33H2,(H,35,37)(H,34,36,38)
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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148421
PNG
(US9682963, 11)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2COC(=O)C2)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H25FN4O4S/c31-26-16-33-11-10-27(26)35-30(38)20-4-5-21(15-32)25(13-20)18-2-1-3-19(12-18)29(37)34-22-6-8-23(9-7-22)40-24-14-28(36)39-17-24/h1-13,16,24H,14-15,17,32H2,(H,34,37)(H,33,35,38)
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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148408
PNG
(US9682963, 2)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SCC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C31H27FN4O4S/c32-27-17-34-12-10-28(27)36-30(38)21-4-5-22(16-33)26(15-21)19-2-1-3-20(14-19)29(37)35-24-6-8-25(9-7-24)41-18-23-11-13-40-31(23)39/h1-10,12,14-15,17,23H,11,13,16,18,33H2,(H,35,37)(H,34,36,38)
PDB

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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148410
PNG
(US9682963, 4)
Show SMILES NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(SC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H25FN4O4S/c31-25-17-33-12-10-26(25)35-29(37)20-4-5-21(16-32)24(15-20)19-2-1-3-22(14-19)34-28(36)18-6-8-23(9-7-18)40-27-11-13-39-30(27)38/h1-10,12,14-15,17,27H,11,13,16,32H2,(H,34,36)(H,33,35,37)
PDB

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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148412
PNG
(US9682963, 5)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H26FN5O4/c31-25-17-33-12-10-26(25)36-29(38)20-4-5-21(16-32)24(15-20)18-2-1-3-19(14-18)28(37)35-23-8-6-22(7-9-23)34-27-11-13-40-30(27)39/h1-10,12,14-15,17,27,34H,11,13,16,32H2,(H,35,37)(H,33,36,38)
PDB

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Article
US Patent
n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148425
PNG
(US9682963, 13)
Show SMILES NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(NC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H26FN5O4/c31-25-17-33-12-10-26(25)36-29(38)20-4-5-21(16-32)24(15-20)19-2-1-3-23(14-19)35-28(37)18-6-8-22(9-7-18)34-27-11-13-40-30(27)39/h1-10,12,14-15,17,27,34H,11,13,16,32H2,(H,35,37)(H,33,36,38)
PDB

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Article
US Patent
n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148414
PNG
(US9682963, 7)
Show SMILES CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
Show InChI InChI=1S/C31H28FN5O4/c1-37(28-12-14-41-31(28)40)24-9-7-23(8-10-24)35-29(38)20-4-2-3-19(15-20)25-16-21(5-6-22(25)17-33)30(39)36-27-11-13-34-18-26(27)32/h2-11,13,15-16,18,28H,12,14,17,33H2,1H3,(H,35,38)(H,34,36,39)
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n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148416
PNG
(US9682963, 9)
Show SMILES CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1
Show InChI InChI=1S/C31H27FN4O4S/c1-18-13-28(31(39)40-18)41-24-9-7-23(8-10-24)35-29(37)20-4-2-3-19(14-20)25-15-21(5-6-22(25)16-33)30(38)36-27-11-12-34-17-26(27)32/h2-12,14-15,17-18,28H,13,16,33H2,1H3,(H,35,37)(H,34,36,38)
PDB

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PC sid
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Article
US Patent
n/an/an/an/a<100n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148409
PNG
(US9682963, 3)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(OC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H25FN4O5/c31-25-17-33-12-10-26(25)35-29(37)20-4-5-21(16-32)24(15-20)18-2-1-3-19(14-18)28(36)34-22-6-8-23(9-7-22)40-27-11-13-39-30(27)38/h1-10,12,14-15,17,27H,11,13,16,32H2,(H,34,36)(H,33,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 550n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148415
PNG
(US9682963, 8)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(SC2CCOC2=O)c1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C30H25FN4O4S/c31-25-17-33-11-9-26(25)35-29(37)20-7-8-21(16-32)24(14-20)18-3-1-4-19(13-18)28(36)34-22-5-2-6-23(15-22)40-27-10-12-39-30(27)38/h1-9,11,13-15,17,27H,10,12,16,32H2,(H,34,36)(H,33,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 550n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair
ROCK Complex


(Rattus norvegicus (Rat))
BDBM148407
PNG
(US9682963, 1)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CNC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C31H28FN5O4/c32-26-18-34-12-10-27(26)37-30(39)22-6-7-23(16-33)25(15-22)20-2-1-3-21(14-20)29(38)36-24-8-4-19(5-9-24)17-35-28-11-13-41-31(28)40/h1-10,12,14-15,18,28,35H,11,13,16-17,33H2,(H,36,38)(H,34,37,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 550n/an/an/an/a



Redx Pharma PLC

US Patent


Assay Description
Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light ...


US Patent US9682963 (2017)


Article DOI: 10.1021/jm950717a
BindingDB Entry DOI: 10.7270/Q2FJ2DZF
More data for this
Ligand-Target Pair