BDBM50054499 CHEMBL334454::N-((S)-3-Carbamimidoyl-2-hydroxy-cyclohexyl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-propionamide

SMILES: CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N

InChI Key: InChIKey=BIOWNVOXFGFXII-KUVDFHCCSA-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 = 50054499   

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))	BDBM50054499 (CHEMBL334454 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/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
Prothrombin (Homo sapiens (Human))	BDBM50054499 (CHEMBL334454 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	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
Trypsin II (Bos taurus)	BDBM50054499 (CHEMBL334454 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES CC(N1CCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N Show InChI InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	293	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