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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15649   

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 ...) Show SMILES COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C19H24N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)	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 ...) Show SMILES COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1 Show InChI InChI=1S/C19H24N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)	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