BDBM50054485 CHEMBL342604::N-[(S)-1-((R)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethyl]-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide

SMILES: NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1

InChI Key: InChIKey=DATYERRDSFNBDN-AABGKKOBSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50054485   

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))	BDBM50054485 (CHEMBL342604 | N-[(S)-1-((R)-1-Carbamimidoyl-piper...) Show SMILES NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1 Show InChI InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a.				J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV
					More data for this Ligand-Target Pair
Trypsin II (Bos taurus)	BDBM50054485 (CHEMBL342604 | N-[(S)-1-((R)-1-Carbamimidoyl-piper...) Show SMILES NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1 Show InChI InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate trypsin				J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50054485 (CHEMBL342604 | N-[(S)-1-((R)-1-Carbamimidoyl-piper...) Show SMILES NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1 Show InChI InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International Inc. Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate Coagulation factor X				J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV
					More data for this Ligand-Target Pair