BDBM13886 1-[(3-carbamimidoylphenyl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-4-methyl-1H-indole-2-carboxamide; 2,2,2-trifluoroacetic acid::3-amidinobenzylindole carboxamide 71

SMILES: CN(C)c1ccc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=PRIRHEBPAJTNLS-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 = 13886   

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))	BDBM13886 (1-[(3-carbamimidoylphenyl)methyl]-N-{[4-(dimethyla...) Show SMILES CN(C)c1ccc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C27H29N5O/c1-18-6-4-9-24-23(18)15-25(32(24)17-20-7-5-8-21(14-20)26(28)29)27(33)30-16-19-10-12-22(13-11-19)31(2)3/h4-15H,16-17H2,1-3H3,(H3,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.31E+3	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