new BindingDB logo
myBDB logout

BDBM13822 3-amidinobenzylindole carboxamide 6::3-bromo-N,1-bis[(3-carbamimidoylphenyl)methyl]-1H-indole-2-carboxamide

SMILES: NC(=N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1

InChI Key: InChIKey=NVOVMNVSNWBIRX-UHFFFAOYSA-N

Data: 2 KI

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 = 13822   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM13822
PNG
(3-amidinobenzylindole carboxamide 6 | 3-bromo-N,1-...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H23BrN6O/c26-21-19-9-1-2-10-20(19)32(14-16-6-4-8-18(12-16)24(29)30)22(21)25(33)31-13-15-5-3-7-17(11-15)23(27)28/h1-12H,13-14H2,(H3,27,28)(H3,29,30)(H,31,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
26 -10.3n/an/an/an/an/a7.825



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)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13822
PNG
(3-amidinobenzylindole carboxamide 6 | 3-bromo-N,1-...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H23BrN6O/c26-21-19-9-1-2-10-20(19)32(14-16-6-4-8-18(12-16)24(29)30)22(21)25(33)31-13-15-5-3-7-17(11-15)23(27)28/h1-12H,13-14H2,(H3,27,28)(H3,29,30)(H,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
3.29E+3 -7.47n/an/an/an/an/a7.825



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)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair