BDBM13832 2,2,2-trifluoroacetate; 4-[({5-amino-1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl}formamido)methyl]-1-methylpyridin-1-ium::3-amidinobenzylindole carboxamide 16

SMILES: C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=GUOKCKDQHOLDBV-UHFFFAOYSA-O

Data: 2 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 2 hits for monomerid = 13832   

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))	BDBM13832 (2,2,2-trifluoroacetate; 4-[({5-amino-1-[(3-carbami...) Show SMILES C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H24N6O/c1-29-9-7-16(8-10-29)14-28-24(31)22-13-19-12-20(25)5-6-21(19)30(22)15-17-3-2-4-18(11-17)23(26)27/h2-13H,14-15,25H2,1H3,(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	100	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
Prothrombin (Homo sapiens (Human))	BDBM13832 (2,2,2-trifluoroacetate; 4-[({5-amino-1-[(3-carbami...) Show SMILES C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C24H24N6O/c1-29-9-7-16(8-10-29)14-28-24(31)22-13-19-12-20(25)5-6-21(19)30(22)15-17-3-2-4-18(11-17)23(26)27/h2-13H,14-15,25H2,1H3,(H3-,26,27,28,31)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+4	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 thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...				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