BDBM50054490 CHEMBL138243::N-((S)-3-Carbamimidoyl-2-hydroxy-cyclohexyl)-2-[(S)-2-oxo-3-(2-phenyl-ethanesulfonylamino)-piperidin-1-yl]-acetamide

SMILES: NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)CCc3ccccc3)C2=O)C1O

InChI Key: InChIKey=KSPYJLUHOLRXAV-NRGCRIOASA-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 = 50054490   

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))	BDBM50054490 (CHEMBL138243 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)CCc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-8-4-9-17(20(16)29)25-19(28)14-27-12-5-10-18(22(27)30)26-33(31,32)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-18,20,26,29H,4-5,8-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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
Coagulation factor X (Homo sapiens (Human))	BDBM50054490 (CHEMBL138243 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)CCc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-8-4-9-17(20(16)29)25-19(28)14-27-12-5-10-18(22(27)30)26-33(31,32)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-18,20,26,29H,4-5,8-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/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-1 (Homo sapiens (Human))	BDBM50054490 (CHEMBL138243 | N-((S)-3-Carbamimidoyl-2-hydroxy-cy...) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)CCc3ccccc3)C2=O)C1O Show InChI InChI=1S/C22H33N5O5S/c23-21(24)16-8-4-9-17(20(16)29)25-19(28)14-27-12-5-10-18(22(27)30)26-33(31,32)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-18,20,26,29H,4-5,8-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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