BDBM15649 Pyrrolidine Carboxamide Compound s2::cid_2856288::methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-)amido]benzoate
SMILES: COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
InChI Key: InChIKey=VIYKYWUXWQBAPZ-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kallikrein 5 (Homo sapiens (Human)) | BDBM15649 (Pyrrolidine Carboxamide Compound s2 | cid_2856288 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM15649 (Pyrrolidine Carboxamide Compound s2 | cid_2856288 ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.49E+4 | n/a | n/a | n/a | n/a | 6.8 | 23 |
University of California at San Francisco | Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ... | J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0 | |||||||||||
More data for this Ligand-Target Pair |