BDBM13818 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}-N-ethylformamido)methyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 2

SMILES: CCN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N

InChI Key: InChIKey=PKSYFZKONVXRJY-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 13818   

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))	BDBM13818 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) Show SMILES CCN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N Show InChI InChI=1S/C26H28N5O/c1-3-30(17-19-11-13-29(2)14-12-19)26(32)24-16-21-8-4-5-10-23(21)31(24)18-20-7-6-9-22(15-20)25(27)28/h4-16H,3,17-18H2,1-2H3,(H3,27,28)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	-8.59	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 45: 2749-69 (2002) Article DOI: 10.1021/jm0111346 BindingDB Entry DOI: 10.7270/Q27H1GTW
					More data for this Ligand-Target Pair