Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042792 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 1
(Homo sapiens (Human)) | BDBM50431138
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431137
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431133
(CHEMBL2332059)Show SMILES CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1 Show InChI InChI=1S/C21H25N5O/c1-26(2)13-12-20(17-6-4-3-5-7-17)25-21(27)24-19-10-8-16(9-11-19)18-14-22-23-15-18/h3-11,14-15,20H,12-13H2,1-2H3,(H,22,23)(H2,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431135
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431134
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431131
(CHEMBL2332056)Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1cccc(F)c1 Show InChI InChI=1S/C19H19FN4O2/c20-16-3-1-2-14(10-16)18(8-9-25)24-19(26)23-17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18,25H,8-9H2,(H,21,22)(H2,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431130
(CHEMBL2332063)Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C21H26N6O2/c1-26(2)9-10-27(15-16-5-4-6-19(11-16)29-3)21(28)25-20-8-7-17(12-22-20)18-13-23-24-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,23,24)(H,22,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431129
(CHEMBL2332076)Show SMILES COc1cccc(c1)C(CCO)NC(=O)Nc1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C20H22N4O3/c1-27-18-4-2-3-15(11-18)19(9-10-25)24-20(26)23-17-7-5-14(6-8-17)16-12-21-22-13-16/h2-8,11-13,19,25H,9-10H2,1H3,(H,21,22)(H2,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431126
(CHEMBL2332069)Show SMILES COc1cccc(CN(CCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H29N5O2/c1-31-23-6-4-5-19(15-23)18-29(14-13-28-11-2-3-12-28)24(30)27-22-9-7-20(8-10-22)21-16-25-26-17-21/h4-10,15-17H,2-3,11-14,18H2,1H3,(H,25,26)(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431124
(CHEMBL2332073)Show SMILES COc1cccc(CN(CCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-5-6-20(16-24)19-30(15-14-29-12-3-2-4-13-29)25(31)28-23-10-8-21(9-11-23)22-17-26-27-18-22/h5-11,16-18H,2-4,12-15,19H2,1H3,(H,26,27)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431128
(CHEMBL2331562)Show InChI InChI=1S/C19H20N4O2/c24-11-10-23(14-15-4-2-1-3-5-15)19(25)22-18-8-6-16(7-9-18)17-12-20-21-13-17/h1-9,12-13,24H,10-11,14H2,(H,20,21)(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 1
(Homo sapiens (Human)) | BDBM50431127
(CHEMBL2332071)Show SMILES COc1cccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H29N5O3/c1-31-23-4-2-3-19(15-23)18-29(10-9-28-11-13-32-14-12-28)24(30)27-22-7-5-20(6-8-22)21-16-25-26-17-21/h2-8,15-17H,9-14,18H2,1H3,(H,25,26)(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of ROCK1 (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 | |
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