BDBM226024 GTC000012A

SMILES: CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)\C=C\c1ccc(Cl)cc1

InChI Key: InChIKey=RMRQFOBKGJWUCD-TUAMIGAHSA-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 = 226024   

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))	BDBM226024 (GTC000012A) Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)\C=C\c1ccc(Cl)cc1 Show InChI InChI=1S/C23H30ClN3O6S/c1-3-20(28)16-27(34(31,32)15-9-18-4-6-19(24)7-5-18)21-8-10-26(23(21)30)17(2)22(29)25-11-13-33-14-12-25/h4-7,9,15,17,21H,3,8,10-14,16H2,1-2H3/b15-9+/t17-,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	60	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