BDBM13823 2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-3-methyl-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 7

SMILES: Cc1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12

InChI Key: InChIKey=JOBDMJBFUZYBIW-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 = 13823   

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))	BDBM13823 (2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...) Show SMILES Cc1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12 Show InChI InChI=1S/C25H25N5O/c1-17-21-8-3-4-9-22(21)30(16-19-6-5-7-20(14-19)24(26)27)23(17)25(31)28-15-18-10-12-29(2)13-11-18/h3-14H,15-16H2,1-2H3,(H3-,26,27,28,31)/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	170	-9.23	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