BDBM87058 Lignan, 3::MLS000034632::N-tert-Butyl-N-(tert-butylcarbamoyl-methyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-propionamide::N-tert-butyl-N-[2-(tert-butylamino)-2-keto-ethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propionamide::N-tert-butyl-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide::N-tert-butyl-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide::SMR000007146::cid_648838

SMILES: CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C

InChI Key: InChIKey=VDWGQYMBLKWTQX-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 87058   

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
Chymotrypsin (Homo sapiens (Human))	BDBM87058 (Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...) Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.18E+4	-6.13	n/a	n/a	n/a	n/a	n/a	7.6	25
University of Karachi					Assay Description Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.				J Enzyme Inhib Med Chem 23: 400-5 (2008) Article DOI: 10.1080/14756360701584653 BindingDB Entry DOI: 10.7270/Q2JS9P23
					More data for this Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1 (Homo sapiens (Human))	BDBM87058 (Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...) Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2ZW1JJF
					More data for this Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1 (Homo sapiens (Human))	BDBM87058 (Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...) Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2V40ST1
					More data for this Ligand-Target Pair