BDBM50009212 CHEMBL3233179
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O
InChI Key: InChIKey=GGQCJJJQUHXYRL-NBMJBFSESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50009212 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)) | BDBM50009212
(CHEMBL3233179)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)16-8-9-19(15(12-16)13-35(4,33)34)30-11-10-18(22(30)32)28-21(31)17-6-5-7-20(27-17)23(24,25)26/h5-7,14-16,18-19H,8-13H2,1-4H3,(H,28,31)/t15-,16+,18-,19-/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 | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50009212
(CHEMBL3233179)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(n2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C23H33F3N4O4S/c1-14(2)29(3)16-8-9-19(15(12-16)13-35(4,33)34)30-11-10-18(22(30)32)28-21(31)17-6-5-7-20(27-17)23(24,25)26/h5-7,14-16,18-19H,8-13H2,1-4H3,(H,28,31)/t15-,16+,18-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC |
Bioorg Med Chem Lett 24: 1843-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.013
BindingDB Entry DOI: 10.7270/Q2FQ9Z4P |
More data for this
Ligand-Target Pair | |
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