new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1068 hits with Last Name = 'cameron' and Initial = 'md'   
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


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384412
PNG
(CHEMBL2031504)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50430374
PNG
(CHEMBL2334292)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H19N5O/c27-21-16-8-14(15-9-23-24-10-15)6-7-19(16)25-20(26-21)18-12-22-11-17(18)13-4-2-1-3-5-13/h1-10,17-18,22H,11-12H2,(H,23,24)(H,25,26,27)/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins b...


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50430377
PNG
(CHEMBL2333898)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H18ClN5O/c22-15-4-1-12(2-5-15)17-10-23-11-18(17)20-26-19-6-3-13(14-8-24-25-9-14)7-16(19)21(28)27-20/h1-9,17-18,23H,10-11H2,(H,24,25)(H,26,27,28)/t17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384437
PNG
(CHEMBL2031501)
Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)/t18?,19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358711
PNG
(CHEMBL1922126)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O2/c1-29(2)11-6-12-31(17-19-7-5-8-22(13-19)33-4)26(32)24-18-30(3)25-14-20(9-10-23(24)25)21-15-27-28-16-21/h5,7-10,13-16,18H,6,11-12,17H2,1-4H3,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358712
PNG
(CHEMBL1922127)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30(16-18-6-5-7-21(12-18)32-4)25(31)23-17-29(3)24-13-19(8-9-22(23)24)20-14-26-27-15-20/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358713
PNG
(CHEMBL1922128)
Show SMILES COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-19-5-2-4-16(10-19)12-24-23(29)21-15-27(8-3-9-28)22-11-17(6-7-20(21)22)18-13-25-26-14-18/h2,4-7,10-11,13-15,28H,3,8-9,12H2,1H3,(H,24,29)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324585
PNG
(CHEMBL1215022 | N-(4-(1H-Pyrazol-4-yl)phenyl)-2-am...)
Show SMILES NC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-5-1-12(2-6-14)16(19)17(23)22-15-7-3-11(4-8-15)13-9-20-21-10-13/h1-10,16H,19H2,(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324574
PNG
((R)-6-Methoxy-N-(2-((1-methylpiperidin-4-yl)methox...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358486
PNG
(CHEMBL1923173)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H20N4O2/c1-13(14-4-3-5-17(8-14)27-2)25-21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-13,22H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026615
PNG
(CHEMBL1922045)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50026615
PNG
(CHEMBL1922045)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358494
PNG
(CHEMBL1923181)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H19N5O2/c1-12(13-4-3-5-16(8-13)27-2)23-20(26)18-9-14-6-7-17(24-19(14)25-18)15-10-21-22-11-15/h3-12H,1-2H3,(H,21,22)(H,23,26)(H,24,25)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338718
PNG
(2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4...)
Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C21H17FN4O3/c1-28-18-7-11(14-8-23-24-9-14)6-16-19(18)25-20(26-21(16)27)13-4-12-5-15(22)2-3-17(12)29-10-13/h2-3,5-9,13H,4,10H2,1H3,(H,23,24)(H,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026330
PNG
(CHEMBL1684210)
Show SMILES O=C(NCCN1CCOCC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C27H28N6O4/c34-26(28-5-6-33-7-9-36-10-8-33)18-2-4-24-19(11-18)12-20(16-37-24)25-31-23-3-1-17(21-14-29-30-15-21)13-22(23)27(35)32-25/h1-4,11,13-15,20H,5-10,12,16H2,(H,28,34)(H,29,30)(H,31,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026332
PNG
(CHEMBL1684209)
Show SMILES O=C(NCCc1ccccn1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C28H24N6O3/c35-27(30-10-8-22-3-1-2-9-29-22)18-5-7-25-19(11-18)12-20(16-37-25)26-33-24-6-4-17(21-14-31-32-15-21)13-23(24)28(36)34-26/h1-7,9,11,13-15,20H,8,10,12,16H2,(H,30,35)(H,31,32)(H,33,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338703
PNG
(CHEMBL1684208 | N-cyclopropyl-3-(4-oxo-6-(1H-pyraz...)
Show SMILES O=C(NC1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026328
PNG
(CHEMBL1684207)
Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338722
PNG
(8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyraz...)
Show SMILES COc1cccc(OCc2nc3c(OC)cc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O4/c1-26-14-4-3-5-15(8-14)28-11-18-23-19-16(20(25)24-18)6-12(7-17(19)27-2)13-9-21-22-10-13/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026327
PNG
(CHEMBL1684206)
Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C25H26N6O3/c1-31(2)8-7-26-24(32)16-4-6-22-17(9-16)10-18(14-34-22)23-29-21-5-3-15(19-12-27-28-13-19)11-20(21)25(33)30-23/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,26,32)(H,27,28)(H,29,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026346
PNG
(CHEMBL1684201)
Show SMILES [H][C@]1(COc2ccc(OC)cc2C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26)/t14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026347
PNG
(CHEMBL1684197)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1/C20H16N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246461
PNG
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246460
PNG
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H24N6O2/c29-28-30-11-10-22(34-28)18-6-8-23-24(14-18)33-26(32-23)21-13-20-12-19(7-9-25(20)36-16-21)27(35)31-15-17-4-2-1-3-5-17/h1-12,14,21H,13,15-16H2,(H,31,35)(H,32,33)(H2,29,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246459
PNG
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1
Show InChI InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431143
PNG
(CHEMBL2332057)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431144
PNG
(CHEMBL2332099)
Show SMILES COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-4-2-3-15(11-20)14-25(19-9-10-19)21(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13,19H,9-10,14H2,1H3,(H,22,23)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431145
PNG
(CHEMBL2332098)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H22N4O2/c1-3-24(14-15-5-4-6-19(11-15)26-2)20(25)23-18-9-7-16(8-10-18)17-12-21-22-13-17/h4-13H,3,14H2,1-2H3,(H,21,22)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431138
PNG
(CHEMBL2332097)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-kinase (ROCK II)


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.5n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384408
PNG
(CHEMBL2031498)
Show SMILES FC1(F)CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358480
PNG
(CHEMBL1922132)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-14-4-2-3-12(7-14)8-21-19(25)16-11-20-18-15(16)5-6-17(24-18)13-9-22-23-10-13/h2-7,9-11H,8H2,1H3,(H,20,24)(H,21,25)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50430355
PNG
(CHEMBL2333899)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)15-4-1-12(2-5-15)17-10-26-11-18(17)20-29-19-6-3-13(14-8-27-28-9-14)7-16(19)21(31)30-20/h1-9,17-18,26H,10-11H2,(H,27,28)(H,29,30,31)/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins b...


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50430356
PNG
(CHEMBL2333897)
Show SMILES Fc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H18FN5O/c22-15-4-1-12(2-5-15)17-10-23-11-18(17)20-26-19-6-3-13(14-8-24-25-9-14)7-16(19)21(28)27-20/h1-9,17-18,23H,10-11H2,(H,24,25)(H,26,27,28)/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins b...


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50430374
PNG
(CHEMBL2334292)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H19N5O/c27-21-16-8-14(15-9-23-24-10-15)6-7-19(16)25-20(26-21)18-12-22-11-17(18)13-4-2-1-3-5-13/h1-10,17-18,22H,11-12H2,(H,23,24)(H,25,26,27)/t17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384408
PNG
(CHEMBL2031498)
Show SMILES FC1(F)CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384428
PNG
(CHEMBL2031491 | US9896452, Example 8)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r|
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384429
PNG
(CHEMBL2031492 | US9896452, Example 137)
Show SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1 |r|
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384436
PNG
(CHEMBL2031500)
Show SMILES OC1CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)/t22-,23?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384417
PNG
(CHEMBL2031478)
Show SMILES O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
Show InChI InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358695
PNG
(CHEMBL1922035)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H19N5O2/c1-25-18(20(26)21-10-13-4-3-5-16(8-13)27-2)9-14-6-7-17(24-19(14)25)15-11-22-23-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,26)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358476
PNG
(CHEMBL1922034)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H17N5O2/c1-26-15-4-2-3-12(7-15)9-20-19(25)17-8-13-5-6-16(23-18(13)24-17)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358709
PNG
(CHEMBL1922046)
Show SMILES COc1cccc(CN(C)C(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H20N4O2/c1-25(13-14-4-3-5-17(8-14)27-2)21(26)19-12-22-20-9-15(6-7-18(19)20)16-10-23-24-11-16/h3-12,22H,13H2,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1068 total )  |  Next  |  Last  >>
Jump to: