Found 3 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50161159
(CHEMBL3793353)Show SMILES [H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)| Show InChI InChI=1S/C18H18ClN3S/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of ROCK-2 (unknown origin) |
Bioorg Med Chem Lett 26: 2383-91 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.113
BindingDB Entry DOI: 10.7270/Q2KK9DP3 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM14028
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of human ROCK-2 using S6 peptide as substrate after 5 mins in presence of [gamma-32P]-ATP |
Bioorg Med Chem Lett 26: 2383-91 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.113
BindingDB Entry DOI: 10.7270/Q2KK9DP3 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50161159
(CHEMBL3793353)Show SMILES [H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)| Show InChI InChI=1S/C18H18ClN3S/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University
Curated by ChEMBL
| Assay Description
Inhibition of ROCK-1 (unknown origin) |
Bioorg Med Chem Lett 26: 2383-91 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.113
BindingDB Entry DOI: 10.7270/Q2KK9DP3 |
More data for this
Ligand-Target Pair | |
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