Found 11 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' AND taxid = 10116 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM86729
((R)-(+)-trans-4-(1-aminoethyl)-N-(4-pyridyl)cycloh...)Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,1.1,(4.6,-3.38,;4.87,-1.86,;6.32,-1.34,;3.69,-.87,;2.92,.46,;1.38,.46,;.61,-.87,;1.38,-2.21,;2.92,-2.21,;-.93,-.87,;-1.7,.46,;-1.7,-2.21,;-3.24,-2.21,;-4.01,-3.54,;-5.55,-3.54,;-6.32,-2.21,;-5.55,-.87,;-4.01,-.87,)| 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 | PDB
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Similars
| PDB Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM15211
(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+ | PDB
UniProtKB/SwissProt
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| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM86727
(1-(5-isoquinolinesulfonyl)-2-methylpiperazine.2HCl...)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 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
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| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM50614317
(CHEMBL5281208) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| UniChem
| | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM15211
(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+ | PDB
UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of rat ROCK2 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM14029
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)| 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 | PDB
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of rat ROCK2 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
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| PDB US Patent
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | 23 |
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)
BindingDB Entry DOI: 10.7270/Q2H993CZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM163433
(BA-1049 | US11198680, Compound BA 1049 (R) | US968...)Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| US Patent
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | 23 |
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)
BindingDB Entry DOI: 10.7270/Q2H993CZ |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM163433
(BA-1049 | US11198680, Compound BA 1049 (R) | US968...)Show SMILES C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r| Show InChI InChI=1S/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-/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | 23 |
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)
BindingDB Entry DOI: 10.7270/Q2H993CZ |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Rattus norvegicus (Rat)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of rat ROCK2 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |