BDBM226039 GTC000027A

SMILES: CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1cc2cc(Cl)ccc2s1

InChI Key: InChIKey=JTWGGGJPQNNLAK-KXBFYZLASA-N

Data: 1 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 1 hit for monomerid = 226039   

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))	BDBM226039 (GTC000027A) Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1cc2cc(Cl)ccc2s1 Show InChI InChI=1S/C23H28ClN3O6S2/c1-3-18(28)14-27(35(31,32)21-13-16-12-17(24)4-5-20(16)34-21)19-6-7-26(23(19)30)15(2)22(29)25-8-10-33-11-9-25/h4-5,12-13,15,19H,3,6-11,14H2,1-2H3/t15-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description D3R245				D3R 245: (2015) BindingDB Entry DOI: 10.7270/Q2GM865X
					More data for this Ligand-Target Pair