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BDBM50078696 CHEMBL52026::{(S)-7-[(2-Amino-3H-imidazol-4-ylmethyl)-carbamoyl]-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl}-acetic acid

SMILES: CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1

InChI Key: InChIKey=XSDMZRDIJUIWTH-ZDUSSCGKSA-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 = 50078696   
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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50078696
PNG
(CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1
Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement.


Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50078696
PNG
(CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...)
Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1
Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Vitronectin receptor.


Bioorg Med Chem Lett 9: 1801-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q4B
More data for this
Ligand-Target Pair