BDBM50054503 CHEMBL263924::N-((1S,2R)-3-Carbamimidoyl-2-hydroxy-cyclohexyl)-2-[(S)-3-(naphthalene-1-sulfonylamino)-2-oxo-piperidin-1-yl]-acetamide

SMILES: NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O

InChI Key: InChIKey=SWQSIILIBYINLN-PSJRLOAUSA-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 = 50054503   

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))	BDBM50054503 (CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/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))	BDBM50054503 (CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	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)	BDBM50054503 (CHEMBL263924 | N-((1S,2R)-3-Carbamimidoyl-2-hydrox...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)[C@@H]1O Show InChI InChI=1S/C24H31N5O5S/c25-23(26)17-9-4-10-18(22(17)31)27-21(30)14-29-13-5-11-19(24(29)32)28-35(33,34)20-12-3-7-15-6-1-2-8-16(15)20/h1-3,6-8,12,17-19,22,28,31H,4-5,9-11,13-14H2,(H3,25,26)(H,27,30)/t17?,18-,19-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+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