Found 5 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 |
|---|
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50236734
(CHEMBL4071886)Show SMILES CN(c1cccc(c1)S(C)(=O)=O)c1ccc2[nH]nc(-c3ccncc3)c2c1 Show InChI InChI=1S/C20H18N4O2S/c1-24(15-4-3-5-17(12-15)27(2,25)26)16-6-7-19-18(13-16)20(23-22-19)14-8-10-21-11-9-14/h3-13H,1-2H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant LRRK2 expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by subs... |
J Med Chem 60: 2983-2992 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50236735
(CHEMBL4060479)Show InChI InChI=1S/C18H15N5/c19-17-10-12(8-9-20-17)18-15-11-14(6-7-16(15)22-23-18)21-13-4-2-1-3-5-13/h1-11,21H,(H2,19,20)(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 728 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant LRRK2 expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by subs... |
J Med Chem 60: 2983-2992 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM257207
(US9493440, 51)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 60: 2983-2992 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM257207
(US9493440, 51)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 60: 2983-2992 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM257207
(US9493440, 51)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 60: 2983-2992 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00045
BindingDB Entry DOI: 10.7270/Q2H997GZ |
More data for this
Ligand-Target Pair | |
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