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BDBM50059127 CHEMBL74081::[4-Methyl-3-oxo-7-(4-pyridin-4-yl-piperazine-1-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-yl]-acetic acid

SMILES: CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=XBGMACJUNQNMBD-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 = 50059127   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059127
PNG
(CHEMBL74081 | [4-Methyl-3-oxo-7-(4-pyridin-4-yl-pi...)
Show SMILES CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H25N5O4/c1-25-14-16-12-15(2-3-18(16)24-19(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)17-4-6-23-7-5-17/h2-7,12,19,24H,8-11,13-14H2,1H3,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50059127
PNG
(CHEMBL74081 | [4-Methyl-3-oxo-7-(4-pyridin-4-yl-pi...)
Show SMILES CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H25N5O4/c1-25-14-16-12-15(2-3-18(16)24-19(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)17-4-6-23-7-5-17/h2-7,12,19,24H,8-11,13-14H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Affinity for vitronectin receptor, integrin alphaV-beta3


J Med Chem 40: 2289-92 (1997)


Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74
More data for this
Ligand-Target Pair