BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 22 hits for UniProtKB: Q62868   
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 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM86729
PNG
((R)-(+)-trans-4-(1-aminoethyl)-N-(4-pyridyl)cycloh...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
270n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
330n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM86727
PNG
(1-(5-isoquinolinesulfonyl)-2-methylpiperazine.2HCl...)
Show SMILES CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
450n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 270n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 800n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
US Patent
n/an/a 820n/an/an/an/an/a23



BIOAXONE BIOSCIENCES, INC.

US Patent


Assay Description
The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...


US Patent US9687483 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM163433
PNG
(BA-1049 | US9687483, 1)
Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 940n/an/an/an/an/a23



BIOAXONE BIOSCIENCES, INC.

US Patent


Assay Description
The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...


US Patent US9687483 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM163433
PNG
(BA-1049 | US9687483, 1)
Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 1.60E+3n/an/an/an/an/a23



BIOAXONE BIOSCIENCES, INC.

US Patent


Assay Description
The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek...


US Patent US9687483 (2017)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 (ROCK II)


(Rattus norvegicus (Rat))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Citation and Details
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=1/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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)

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=1/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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
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)

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=1/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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)

More data for this
Ligand-Target Pair
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=1/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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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=1/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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair