BDBM50054505 CHEMBL421760::N-(3-Carbamimidoyl-2-hydroxy-cyclohexyl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-pyrrolidin-1-yl)-acetamide

SMILES: NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

InChI Key: InChIKey=BESVJPPKTOOXIB-HVEGKCCWSA-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 = 50054505   

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
Prothrombin (Homo sapiens (Human))	BDBM50054505 (CHEMBL421760 | N-(3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	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 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
Coagulation factor X (Homo sapiens (Human))	BDBM50054505 (CHEMBL421760 | N-(3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/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 compound was tested 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)	BDBM50054505 (CHEMBL421760 | N-(3-Carbamimidoyl-2-hydroxy-cycloh...) Show SMILES NC(=N)C1CCCC(NC(=O)CN2CC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	538	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