BDBM13836 2,2,2-trifluoroacetic acid; 5-(benzyloxy)-1-[(3-carbamimidoylphenyl)methyl]-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide::3-amidinobenzylindole carboxamide 20

SMILES: C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=N)c1ccccc1

InChI Key: InChIKey=PXFITNRGNDJUHQ-QFIPXVFZSA-N

Data: 1 KI

PDB links: 2 PDB IDs contain 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 = 13836   

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))	BDBM13836 (2,2,2-trifluoroacetic acid; 5-(benzyloxy)-1-[(3-ca...) Show SMILES C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=N)c1ccccc1 |r| Show InChI InChI=1S/C32H30N4O2/c1-22(25-12-6-3-7-13-25)35-32(37)30-19-27-18-28(38-21-23-9-4-2-5-10-23)15-16-29(27)36(30)20-24-11-8-14-26(17-24)31(33)34/h2-19,22H,20-21H2,1H3,(H3,33,34)(H,35,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.69E+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