BDBM50204277 CHEMBL3924012
SMILES: [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C
InChI Key: InChIKey=VEJAXNJBZFJBNE-LAUBAEHRSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50204277 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204277
(CHEMBL3924012)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ERG by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204277
(CHEMBL3924012)Show SMILES [H][C@]12CO[C@H](CN1CCN(C2)C(=O)Cc1ccc(nc1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-18(3-4-20(24)19(15)9-25)21-12-30-6-7-31(11-17(30)13-34-21)23(33)8-16-2-5-22(26-10-16)32-14-27-28-29-32/h2-5,10,14,17,21H,6-8,11-13H2,1H3/t17-,21+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method |
Bioorg Med Chem Lett 26: 5695-5702 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.064 BindingDB Entry DOI: 10.7270/Q2F191PS |
More data for this Ligand-Target Pair | |