BDBM50220325 1-[(S)-5-[3-(4-acetyl-piperazin-1-yl)-propyl]-3-(2,5-difluoro-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone::CHEMBL239414
SMILES: CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F
InChI Key: InChIKey=GTKCZSXHQIQSPL-SANMLTNESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50220325 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)) | BDBM50220325
(1-[(S)-5-[3-(4-acetyl-piperazin-1-yl)-propyl]-3-(2...)Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human ERG in HEK cells |
Bioorg Med Chem Lett 17: 5390-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM |
More data for this Ligand-Target Pair | |
Kinesin-like protein 1
(Homo sapiens (Human)) | BDBM50220325
(1-[(S)-5-[3-(4-acetyl-piperazin-1-yl)-propyl]-3-(2...)Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of KSP by ATPase assay |
Bioorg Med Chem Lett 17: 5390-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM |
More data for this Ligand-Target Pair | |