BDBM226017 GTC000001A

SMILES: COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1

InChI Key: InChIKey=ODQASWVTSCKYSN-KKSFZXQISA-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 = 226017   

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))	BDBM226017 (GTC000001A) Show SMILES COC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 Show InChI InChI=1S/C24H28ClN3O7S/c1-16(23(30)26-9-11-35-12-10-26)27-8-7-21(24(27)31)28(15-22(29)34-2)36(32,33)20-6-4-17-13-19(25)5-3-18(17)14-20/h3-6,13-14,16,21H,7-12,15H2,1-2H3/t16-,21-/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	10.5	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