BDBM50257145 CHEMBL4095609
SMILES: Fc1cncc(c1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1
InChI Key: InChIKey=ZLWGSRCTFMLHPP-UHFFFAOYSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50257145 (CHEMBL4095609) | UniProtKB/SwissProt GoogleScholar AffyNet | 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 |
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)) | BDBM50257145 (CHEMBL4095609) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+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 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)) | BDBM50257145 (CHEMBL4095609) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.50E+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 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 |