BDBM50125020 CHEMBL349606::N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[(R)-2-oxo-3-(2-oxo-2-piperidin-1-yl-ethyl)-4-phenylmethanesulfonyl-piperazin-1-yl]-acetamide

SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1

InChI Key: InChIKey=BMORWMVRWCHRDH-XZOQPEGZSA-N

Data: 2 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 2 hits for monomerid = 50125020   

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))	BDBM50125020 (CHEMBL349606 | N-[(S)-4-Guanidino-1-(thiazole-2-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H40N8O6S2/c30-29(31)33-11-7-10-22(26(40)27-32-12-17-44-27)34-24(38)19-36-15-16-37(45(42,43)20-21-8-3-1-4-9-21)23(28(36)41)18-25(39)35-13-5-2-6-14-35/h1,3-4,8-9,12,17,22-23H,2,5-7,10-11,13-16,18-20H2,(H,34,38)(H4,30,31,33)/t22-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against serine protease thrombin				Bioorg Med Chem Lett 13: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50125020 (CHEMBL349606 | N-[(S)-4-Guanidino-1-(thiazole-2-ca...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CC(=O)N2CCCCC2)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H40N8O6S2/c30-29(31)33-11-7-10-22(26(40)27-32-12-17-44-27)34-24(38)19-36-15-16-37(45(42,43)20-21-8-3-1-4-9-21)23(28(36)41)18-25(39)35-13-5-2-6-14-35/h1,3-4,8-9,12,17,22-23H,2,5-7,10-11,13-16,18-20H2,(H,34,38)(H4,30,31,33)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against factor Xa				Bioorg Med Chem Lett 13: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS
					More data for this Ligand-Target Pair