Found 7 hits of ic50 for monomerid = 50353227 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 |
|---|
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | 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 | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50353227
(CHEMBL3215861)Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this
Ligand-Target Pair | |
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