new BindingDB logo
myBDB logout

BDBM50143849 5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-5-oxo-pentanoic acid::CHEMBL64592

SMILES: NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O

InChI Key: InChIKey=LGMJTDJBKYJNMX-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 50143849   
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))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to Vitronectin receptor (alpha V beta 3)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 464n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet (h-PRP) aggregation induced by 4 ug/mL collagen with PPACK


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of citrated human platelet (h-PRP) aggregation induced by 4 ug/mL collagen


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 168n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 368n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet (h-PRP) aggregation induced by 5 microM TRAP6 with PPACK


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143849
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spir...)
Show SMILES NC(=N)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H26N4O4/c21-18(22)14-4-6-15(7-5-14)24-13-10-20(19(24)28)8-11-23(12-9-20)16(25)2-1-3-17(26)27/h4-7H,1-3,8-13H2,(H3,21,22)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of citrated human (h-PRP) platelet aggregation induced by 5 uM TRAP6


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair