BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 200 hits of ki for UniProtKB: Q13464   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1
Show InChI InChI=1S/C19H19N3O2/c20-10-18(14-3-1-13(12-23)2-4-14)19(24)22-17-6-5-16-11-21-8-7-15(16)9-17/h1-9,11,18,23H,10,12,20H2,(H,22,24)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay


Bioorg Med Chem Lett 30: 127474 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1
Show InChI InChI=1S/C19H19N3O2/c20-10-18(14-3-1-13(12-23)2-4-14)19(24)22-17-6-5-16-11-21-8-7-15(16)9-17/h1-9,11,18,23H,10,12,20H2,(H,22,24)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 expressed in baculovirus expression system by Kinase-Glo luminescent Assay


J Med Chem 63: 10533-10593 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549385
PNG
(CHEMBL4777515)
Show SMILES Fc1cnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c2c1
Show InChI InChI=1S/C26H28FN5O2S/c27-19-13-21-22(15-30-25(21)29-14-19)23-16-35-26(31-23)32-24(33)12-18-3-1-5-20(11-18)34-10-2-4-17-6-8-28-9-7-17/h1,3,5,11,13-17,28H,2,4,6-10,12H2,(H,29,30)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463499
PNG
(CHEMBL4250547)
Show SMILES CCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C20H19N5O3S2/c1-2-30(27,28)25-14-6-3-5-13(9-14)10-18(26)24-20-23-17(12-29-20)16-11-22-19-15(16)7-4-8-21-19/h3-9,11-12,25H,2,10H2,1H3,(H,21,22)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50546247
PNG
(AR-11324 FREE BASE | AR-13324 | NETARSUDIL | Netar...)
Show SMILES Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1
Show InChI InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay


Bioorg Med Chem Lett 30: 127474 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463492
PNG
(CHEMBL4241305)
Show SMILES CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-9-31(28,29)26-15-6-3-5-14(10-15)11-19(27)25-21-24-18(13-30-21)17-12-23-20-16(17)7-4-8-22-20/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,22,23)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463481
PNG
(CHEMBL4244717)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-13(2)31(28,29)26-15-6-3-5-14(9-15)10-19(27)25-21-24-18(12-30-21)17-11-23-20-16(17)7-4-8-22-20/h3-9,11-13,26H,10H2,1-2H3,(H,22,23)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463500
PNG
(CHEMBL4243658)
Show SMILES CCCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C22H23N5O3S2/c1-2-3-10-32(29,30)27-16-7-4-6-15(11-16)12-20(28)26-22-25-19(14-31-22)18-13-24-21-17(18)8-5-9-23-21/h4-9,11,13-14,27H,2-3,10,12H2,1H3,(H,23,24)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463498
PNG
(CHEMBL4241959)
Show SMILES COCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O4S2/c1-30-9-8-24-32(28,29)15-5-2-4-14(10-15)11-19(27)26-21-25-18(13-31-21)17-12-23-20-16(17)6-3-7-22-20/h2-7,10,12-13,24H,8-9,11H2,1H3,(H,22,23)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12
Show InChI InChI=1S/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
BindingDB Entry DOI: 10.7270/Q2DN468G
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549387
PNG
(CHEMBL4752045)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(F)cc23)c1
Show InChI InChI=1S/C19H16FN5O3S2/c1-30(27,28)25-13-4-2-3-11(5-13)6-17(26)24-19-23-16(10-29-19)15-9-22-18-14(15)7-12(20)8-21-18/h2-5,7-10,25H,6H2,1H3,(H,21,22)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549386
PNG
(CHEMBL4778806)
Show SMILES Fc1ccnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c12
Show InChI InChI=1S/C26H28FN5O2S/c27-21-8-11-29-25-24(21)20(15-30-25)22-16-35-26(31-22)32-23(33)14-18-3-1-5-19(13-18)34-12-2-4-17-6-9-28-10-7-17/h1,3,5,8,11,13,15-17,28H,2,4,6-7,9-10,12,14H2,(H,29,30)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463489
PNG
(CHEMBL4245089)
Show SMILES Oc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C18H14N4O2S/c23-12-4-1-3-11(7-12)8-16(24)22-18-21-15(10-25-18)14-9-20-17-13(14)5-2-6-19-17/h1-7,9-10,23H,8H2,(H,19,20)(H,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549388
PNG
(CHEMBL4742150)
Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncc(F)cc34)c2)CC1
Show InChI InChI=1S/C25H27FN6O2S/c1-31-5-7-32(8-6-31)9-10-34-19-4-2-3-17(11-19)12-23(33)30-25-29-22(16-35-25)21-15-28-24-20(21)13-18(26)14-27-24/h2-4,11,13-16H,5-10,12H2,1H3,(H,27,28)(H,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463490
PNG
(CHEMBL4240605)
Show SMILES CCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-8-24-31(28,29)15-6-3-5-14(10-15)11-19(27)26-21-25-18(13-30-21)17-12-23-20-16(17)7-4-9-22-20/h3-7,9-10,12-13,24H,2,8,11H2,1H3,(H,22,23)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463495
PNG
(CHEMBL4244623)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-13-5-2-4-12(8-13)9-17(24)23-19-22-16(11-26-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463491
PNG
(CHEMBL4245197)
Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-30-8-10-31(11-9-30)12-13-33-19-5-2-4-18(14-19)15-23(32)29-25-28-22(17-34-25)21-16-27-24-20(21)6-3-7-26-24/h2-7,14,16-17H,8-13,15H2,1H3,(H,26,27)(H,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549393
PNG
(CHEMBL4757625)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3nccc(F)c23)c1
Show InChI InChI=1S/C19H16FN5O3S2/c1-30(27,28)25-12-4-2-3-11(7-12)8-16(26)24-19-23-15(10-29-19)13-9-22-18-17(13)14(20)5-6-21-18/h2-7,9-10,25H,8H2,1H3,(H,21,22)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463494
PNG
(CHEMBL4240883)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H14N4OS/c23-16(9-12-5-2-1-3-6-12)22-18-21-15(11-24-18)14-10-20-17-13(14)7-4-8-19-17/h1-8,10-11H,9H2,(H,19,20)(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549401
PNG
(CHEMBL4788786)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncc(F)cc34)c2)CC1
Show InChI InChI=1S/C26H29FN6O2S/c1-32-7-9-33(10-8-32)6-3-11-35-20-5-2-4-18(12-20)13-24(34)31-26-30-23(17-36-26)22-16-29-25-21(22)14-19(27)15-28-25/h2,4-5,12,14-17H,3,6-11,13H2,1H3,(H,28,29)(H,30,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
<5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PubMed
5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PDB
Article
PubMed
6 -11.4n/an/an/an/an/a7.630



Vertex Pharmaceuticals Inc



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 260-8 (2006)


Article DOI: 10.1074/jbc.M508847200
BindingDB Entry DOI: 10.7270/Q2JQ0Z80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2/Rho-kinase (ROCK I)


(Homo sapiens (Human))
BDBM50525584
PNG
(CHEMBL4453941)
Show SMILES CC(C)(C#N)c1cccc(n1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C16H14N4/c1-16(2,10-17)14-5-3-4-13(20-14)11-6-8-18-15-12(11)7-9-19-15/h3-9H,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK (unknown origin) using Myelin Basic Protein as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid s...


ACS Med Chem Lett 10: 1134-1139 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00134
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50463491
PNG
(CHEMBL4245197)
Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-30-8-10-31(11-9-30)12-13-33-19-5-2-4-18(14-19)15-23(32)29-25-28-22(17-34-25)21-16-27-24-20(21)6-3-7-26-24/h2-7,14,16-17H,8-13,15H2,1H3,(H,26,27)(H,28,29,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463497
PNG
(CHEMBL4249070)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-13(2)26-31(28,29)15-6-3-5-14(9-15)10-19(27)25-21-24-18(12-30-21)17-11-23-20-16(17)7-4-8-22-20/h3-9,11-13,26H,10H2,1-2H3,(H,22,23)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463487
PNG
(CHEMBL4248883)
Show SMILES O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H14N4O3S/c24-17(7-11-3-4-15-16(6-11)26-10-25-15)23-19-22-14(9-27-19)13-8-21-18-12(13)2-1-5-20-18/h1-6,8-9H,7,10H2,(H,20,21)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549397
PNG
(CHEMBL4800244)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nnc(s2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C18H16N6O3S2/c1-29(26,27)24-12-5-2-4-11(8-12)9-15(25)21-18-23-22-17(28-18)14-10-20-16-13(14)6-3-7-19-16/h2-8,10,24H,9H2,1H3,(H,19,20)(H,21,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549395
PNG
(CHEMBL4781437)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(ncn2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C20H18N6O3S/c1-30(28,29)26-14-5-2-4-13(8-14)9-19(27)25-18-10-17(23-12-24-18)16-11-22-20-15(16)6-3-7-21-20/h2-8,10-12,26H,9H2,1H3,(H,21,22)(H,23,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549392
PNG
(CHEMBL4751643)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(O)cc23)c1
Show InChI InChI=1S/C19H17N5O4S2/c1-30(27,28)24-12-4-2-3-11(5-12)6-17(26)23-19-22-16(10-29-19)15-9-21-18-14(15)7-13(25)8-20-18/h2-5,7-10,24-25H,6H2,1H3,(H,20,21)(H,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097177
PNG
(CHEMBL3581126)
Show SMILES Clc1c2OCOc2ccc1CC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H12ClN3O3S/c18-15-11(1-2-13-16(15)24-9-23-13)7-14(22)21-17-20-12(8-25-17)10-3-5-19-6-4-10/h1-6,8H,7,9H2,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549399
PNG
(CHEMBL4754058)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc(s2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C20H18N4O3S2/c1-29(26,27)24-14-5-2-4-13(10-14)11-18(25)23-19-8-7-17(28-19)16-12-22-20-15(16)6-3-9-21-20/h2-10,12,24H,11H2,1H3,(H,21,22)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463482
PNG
(CHEMBL4238696)
Show SMILES O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H26N6O2S/c31-22(14-17-3-1-4-18(13-17)32-12-11-30-9-7-25-8-10-30)29-24-28-21(16-33-24)20-15-27-23-19(20)5-2-6-26-23/h1-6,13,15-16,25H,7-12,14H2,(H,26,27)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549402
PNG
(CHEMBL4748596)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4nccc(F)c34)c2)CC1
Show InChI InChI=1S/C26H29FN6O2S/c1-32-9-11-33(12-10-32)8-3-13-35-19-5-2-4-18(14-19)15-23(34)31-26-30-22(17-36-26)20-16-29-25-24(20)21(27)6-7-28-25/h2,4-7,14,16-17H,3,8-13,15H2,1H3,(H,28,29)(H,30,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549400
PNG
(CHEMBL4754398)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cnc(s2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-16(25)23-17-11-22-19(28-17)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097155
PNG
(CHEMBL3581132)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-4-2-3-13(9-16)10-17(21)20-18-11-15(12-23-18)14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097166
PNG
(CHEMBL3580669)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
Show InChI InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Kadmon Corporation LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B04
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Kadmon Corporation LLC

US Patent


Assay Description
Kinase inhibition can be determined using an IMAP® assay (Molecular Devices). This assay method involves the use of a fluorescently-tagged peptide su...


US Patent US9815820 (2017)


BindingDB Entry DOI: 10.7270/Q2KS6TP0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463486
PNG
(CHEMBL4242191)
Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C25H28N6O2S/c32-23(30-25-29-22(17-34-25)21-16-28-24-20(21)6-2-7-27-24)15-18-4-1-5-19(14-18)33-13-3-10-31-11-8-26-9-12-31/h1-2,4-7,14,16-17,26H,3,8-13,15H2,(H,27,28)(H,29,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50462718
PNG
(CHEMBL4237479)
Show SMILES CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1
Show InChI InChI=1S/C25H30N4O2S/c1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21/h2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...


Bioorg Med Chem Lett 28: 2616-2621 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Kadmon Corporation, LLC

US Patent


Assay Description
Purified active ROCK1 and ROCK2 were obtained from Invitrogen (catalog numbers ROCK1, PV3691 and ROCK2, PV3759). The kit components include a coumari...


US Patent US10696660 (2020)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463485
PNG
(CHEMBL4240458)
Show SMILES CN(C)S(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C20H19N5O3S2/c1-25(2)30(27,28)14-6-3-5-13(9-14)10-18(26)24-20-23-17(12-29-20)16-11-22-19-15(16)7-4-8-21-19/h3-9,11-12H,10H2,1-2H3,(H,21,22)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50549390
PNG
(CHEMBL4793675)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(Cl)cc23)c1
Show InChI InChI=1S/C19H16ClN5O3S2/c1-30(27,28)25-13-4-2-3-11(5-13)6-17(26)24-19-23-16(10-29-19)15-9-22-18-14(15)7-12(20)8-21-18/h2-5,7-10,25H,6H2,1H3,(H,21,22)(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
11n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50462710
PNG
(CHEMBL4251324)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...


Bioorg Med Chem Lett 28: 2616-2621 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 200 total )  |  Next  |  Last  >>
Jump to: