Found 3 hits in this display 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 |
|---|
Protein-serine O-palmitoleoyltransferase porcupine
(Homo sapiens (Human)) | BDBM50257158
(CHEMBL4104257)Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H18N6O3/c1-24-18(27)13-5-3-9-25(17(13)19(24)28)11-16(26)21-15-7-6-14(22-23-15)12-4-2-8-20-10-12/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,21,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore.
Curated by ChEMBL
| Assay Description
Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay |
J Med Chem 60: 6678-6692 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00662
BindingDB Entry DOI: 10.7270/Q2571FF5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50257158
(CHEMBL4104257)Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H18N6O3/c1-24-18(27)13-5-3-9-25(17(13)19(24)28)11-16(26)21-15-7-6-14(22-23-15)12-4-2-8-20-10-12/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,21,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 60: 6678-6692 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00662
BindingDB Entry DOI: 10.7270/Q2571FF5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50257158
(CHEMBL4104257)Show SMILES CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4| Show InChI InChI=1S/C19H18N6O3/c1-24-18(27)13-5-3-9-25(17(13)19(24)28)11-16(26)21-15-7-6-14(22-23-15)12-4-2-8-20-10-12/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,21,23,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre , 31 Biopolis Way, No. 03-01 Nanos, 138669, Singapore.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 60: 6678-6692 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00662
BindingDB Entry DOI: 10.7270/Q2571FF5 |
More data for this
Ligand-Target Pair | |