BDBM40805 4-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester::4-[2-(3-methyl-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester::4-{2-[(Toluene-4-sulfonyl)-m-tolyl-amino]-acetyl}-piperazine-1-carboxylic acid ethyl ester::MLS000073329::SMR000011859::cid_654959::ethyl 4-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate::ethyl 4-[2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

SMILES: CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=XSUQMLJANPGLHP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 40805   

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
Complement C1s (Homo sapiens (Human))	BDBM40805 (4-[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-14-12-24(13-15-25)22(27)17-26(20-7-5-6-19(3)16-20)32(29,30)21-10-8-18(2)9-11-21/h5-11,16H,4,12-15,17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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: Dr. Scott L. Diamond, University of Pen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2MP51PC
					More data for this Ligand-Target Pair