BDBM50272537 (2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propyl]-3-hydroxy-2-phenylmethanesulfonylamino-butyramide::CHEMBL498339

SMILES: CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=OKVYPUQMYBQLCM-TYCQWZJGSA-N

Data: 3 KI

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 = 50272537   

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 VII (Homo sapiens (Human))	BDBM50272537 ((2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)...) Show SMILES CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C24H33N5O5S2/c1-16(30)21(29-36(33,34)15-18-6-4-3-5-7-18)24(32)28-20(12-13-35-2)23(31)27-14-17-8-10-19(11-9-17)22(25)26/h3-11,16,20-21,29-30H,12-15H2,1-2H3,(H3,25,26)(H,27,31)(H,28,32)/t16-,20+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human factor 7a-tissue factor complex				Bioorg Med Chem Lett 18: 4533-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.044 BindingDB Entry DOI: 10.7270/Q29G5MN3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50272537 ((2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)...) Show SMILES CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C24H33N5O5S2/c1-16(30)21(29-36(33,34)15-18-6-4-3-5-7-18)24(32)28-20(12-13-35-2)23(31)27-14-17-8-10-19(11-9-17)22(25)26/h3-11,16,20-21,29-30H,12-15H2,1-2H3,(H3,25,26)(H,27,31)(H,28,32)/t16-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 18: 4533-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.044 BindingDB Entry DOI: 10.7270/Q29G5MN3
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50272537 ((2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)...) Show SMILES CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C24H33N5O5S2/c1-16(30)21(29-36(33,34)15-18-6-4-3-5-7-18)24(32)28-20(12-13-35-2)23(31)27-14-17-8-10-19(11-9-17)22(25)26/h3-11,16,20-21,29-30H,12-15H2,1-2H3,(H3,25,26)(H,27,31)(H,28,32)/t16-,20+,21-/m1/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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 4533-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.044 BindingDB Entry DOI: 10.7270/Q29G5MN3
					More data for this Ligand-Target Pair