Found 3 hits for monomerid = 50388712 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 |
G-protein- coupled-like receptor Smoothened (Smo)
(Homo sapiens (Human)) | BDBM50388712
(CHEMBL2059870)Show SMILES Cc1nn(C)c(C)c1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 Show InChI InChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay |
Bioorg Med Chem Lett 22: 4907-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50388712
(CHEMBL2059870)Show SMILES Cc1nn(C)c(C)c1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 Show InChI InChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 4907-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG |
More data for this Ligand-Target Pair | |
G-protein- coupled-like receptor Smoothened (Smo)
(Homo sapiens (Human)) | BDBM50388712
(CHEMBL2059870)Show SMILES Cc1nn(C)c(C)c1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 Show InChI InChI=1S/C26H26N4O2/c1-17-8-9-21(25-18(2)29-30(4)19(25)3)15-24(17)28-26(31)20-10-12-23(13-11-20)32-16-22-7-5-6-14-27-22/h5-15H,16H2,1-4H3,(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis |
Bioorg Med Chem Lett 22: 4907-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.104 BindingDB Entry DOI: 10.7270/Q2W37XCG |
More data for this Ligand-Target Pair | |