BDBM13885 2,2,2-trifluoroacetate; N-benzyl-4-[({1-[(3-carbamimidoylphenyl)methyl]-4-methyl-1H-indol-2-yl}formamido)methyl]-N,N-dimethylanilinium::3-amidinobenzylindole carboxamide 70

SMILES: Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1

InChI Key: InChIKey=AREGJMORGJFWDY-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 = 13885   

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))	BDBM13885 (2,2,2-trifluoroacetate; N-benzyl-4-[({1-[(3-carbam...) Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C34H35N5O/c1-24-9-7-14-31-30(24)20-32(38(31)22-27-12-8-13-28(19-27)33(35)36)34(40)37-21-25-15-17-29(18-16-25)39(2,3)23-26-10-5-4-6-11-26/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	23	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))	BDBM13885 (2,2,2-trifluoroacetate; N-benzyl-4-[({1-[(3-carbam...) Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C34H35N5O/c1-24-9-7-14-31-30(24)20-32(38(31)22-27-12-8-13-28(19-27)33(35)36)34(40)37-21-25-15-17-29(18-16-25)39(2,3)23-26-10-5-4-6-11-26/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90E+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 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