BindingDB logo
myBDB logout

PubMed code 26753814

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50140178
PNG
(CHEMBL3754350)
Show SMILES [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-6-4-11-10-8-21(10,29)18(35)28-12(3-2-5-24-19(22)23)16(33)25-9-14(30)26-13(7-15(31)32)17(34)27-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50140179
PNG
(CHEMBL3753748)
Show SMILES [H][C@]12C[C@@]11N(C[C@@]([H])(C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-9-11-5-10-7-21(10,29)18(35)28-12(3-2-4-24-19(22)23)16(33)25-8-14(30)27-13(6-15(31)32)17(34)26-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,34)(H,27,30)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5/beta1 heterodimer in human K562 cells assessed as inhibition of integrin-mediated human K562 cell adhesion to fib...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50140177
PNG
(CHEMBL3752070)
Show SMILES [H][C@@]12N[C@@H](CC(O)=O)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@]1([H])[C@H]2C(=O)OCC)C(C)C |r|
Show InChI InChI=1S/C23H37N7O8/c1-4-38-22(37)16-15-18(16)28-12(8-14(32)33)13(31)9-27-19(34)11(6-5-7-26-23(24)25)29-21(36)17(10(2)3)30-20(15)35/h10-12,15-18,28H,4-9H2,1-3H3,(H,27,34)(H,29,36)(H,30,35)(H,32,33)(H4,24,25,26)/t11-,12-,15+,16+,17-,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphav/beta3 heterodimer (unknown origin) assessed as inhibition of integrin-mediated cell adhesion to vitronectin

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50140178
PNG
(CHEMBL3754350)
Show SMILES [H][C@@]12C[C@]11N(CC[C@@]2([H])NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-6-4-11-10-8-21(10,29)18(35)28-12(3-2-5-24-19(22)23)16(33)25-9-14(30)26-13(7-15(31)32)17(34)27-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,30)(H,27,34)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5/beta1 heterodimer in human K562 cells assessed as inhibition of integrin-mediated human K562 cell adhesion to fib...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50140179
PNG
(CHEMBL3753748)
Show SMILES [H][C@]12C[C@@]11N(C[C@@]([H])(C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)OC |r|
Show InChI InChI=1S/C21H32N8O8/c1-37-20(36)29-9-11-5-10-7-21(10,29)18(35)28-12(3-2-4-24-19(22)23)16(33)25-8-14(30)27-13(6-15(31)32)17(34)26-11/h10-13H,2-9H2,1H3,(H,25,33)(H,26,34)(H,27,30)(H,28,35)(H,31,32)(H4,22,23,24)/t10-,11+,12-,13-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50140177
PNG
(CHEMBL3752070)
Show SMILES [H][C@@]12N[C@@H](CC(O)=O)C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@]1([H])[C@H]2C(=O)OCC)C(C)C |r|
Show InChI InChI=1S/C23H37N7O8/c1-4-38-22(37)16-15-18(16)28-12(8-14(32)33)13(31)9-27-19(34)11(6-5-7-26-23(24)25)29-21(36)17(10(2)3)30-20(15)35/h10-12,15-18,28H,4-9H2,1-3H3,(H,27,34)(H,29,36)(H,30,35)(H,32,33)(H4,24,25,26)/t11-,12-,15+,16+,17-,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha5/beta1 heterodimer (unknown origin)

Bioorg Med Chem 24: 703-11 (2016)


Article DOI: 10.1016/j.bmc.2015.12.039
BindingDB Entry DOI: 10.7270/Q2KD20S3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%