BDBM50054501 2-[(S)-3-(Butane-1-sulfonylamino)-2-oxo-piperidin-1-yl]-N-((S)-3-carbamimidoyl-2-hydroxy-cyclohexyl)-acetamide::CHEMBL140545

SMILES: CCCCS(=O)(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O

InChI Key: InChIKey=HCCOVNMWPQQJTR-WJEHIRDRSA-N

Data: 3 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 = 50054501   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50054501 (2-[(S)-3-(Butane-1-sulfonylamino)-2-oxo-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C18H33N5O5S/c1-2-3-10-29(27,28)22-14-8-5-9-23(18(14)26)11-15(24)21-13-7-4-6-12(16(13)25)17(19)20/h12-14,16,22,25H,2-11H2,1H3,(H3,19,20)(H,21,24)/t12?,13-,14-,16?/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Trypsin II (Bos taurus)	BDBM50054501 (2-[(S)-3-(Butane-1-sulfonylamino)-2-oxo-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C18H33N5O5S/c1-2-3-10-29(27,28)22-14-8-5-9-23(18(14)26)11-15(24)21-13-7-4-6-12(16(13)25)17(19)20/h12-14,16,22,25H,2-11H2,1H3,(H3,19,20)(H,21,24)/t12?,13-,14-,16?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description compound was tested in vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054501 (2-[(S)-3-(Butane-1-sulfonylamino)-2-oxo-piperidin-...) Show SMILES CCCCS(=O)(=O)N[C@H]1CCCN(CC(=O)N[C@H]2CCCC(C2O)C(N)=N)C1=O Show InChI InChI=1S/C18H33N5O5S/c1-2-3-10-29(27,28)22-14-8-5-9-23(18(14)26)11-15(24)21-13-7-4-6-12(16(13)25)17(19)20/h12-14,16,22,25H,2-11H2,1H3,(H3,19,20)(H,21,24)/t12?,13-,14-,16?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	709	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair