BDBM13831 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 15

SMILES: C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=MSFXCQBITWOFFJ-UHFFFAOYSA-O

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 = 13831   

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))	BDBM13831 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) Show SMILES C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H23N5O/c1-28-11-9-17(10-12-28)15-27-24(30)22-14-19-6-2-3-8-21(19)29(22)16-18-5-4-7-20(13-18)23(25)26/h2-14H,15-16H2,1H3,(H3-,25,26,27,30)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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