Found 8 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)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | 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 | |
Stefin-3
(Mus musculus) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Antagonistic activity against histamine H3 receptor in guinea pig ileum |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10E+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)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.40E+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 | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.40E+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 CYP1A2 (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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80E+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 human ERG by patch clamp 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 | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | 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 partial length human MEK5 expressed in mammalian expression system by KINOMEscan 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 | |
Serine/threonine-protein kinase RIO2
(Homo sapiens (Human)) | BDBM50257128
(CHEMBL4087906)Show SMILES O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7| Show InChI InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 7.40E+3 | 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 partial length human RIOK2 expressed in mammalian expression system by KINOMEscan 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 | |