Found 100 hits with Last Name = 'spatz' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50235980
(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/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50429459
(CHEMBL2332367)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#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/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590870
(CHEMBL5170582)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50110227
(3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...)Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1 Show InChI InChI=1S/C31H32N4O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590870
(CHEMBL5170582)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429464
(CHEMBL2332827)Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,wD:20.40,24.24,(29.78,-44.54,;28.45,-45.31,;27.11,-44.54,;28.45,-46.85,;27.11,-47.62,;27.11,-49.16,;25.77,-49.94,;25.77,-51.48,;24.44,-52.25,;23.1,-51.48,;23.1,-49.94,;21.77,-52.25,;21.79,-53.77,;23.13,-54.53,;24.46,-53.74,;23.15,-56.07,;24.49,-56.81,;24.51,-58.37,;25.85,-59.12,;27.18,-58.34,;25.87,-60.66,;27.21,-61.42,;29.78,-53.78,;31.12,-54.55,;29.77,-52.24,;31.08,-51.47,;32.4,-52.23,;32.56,-53.73,;34.05,-54.04,;34.8,-52.73,;36.28,-52.41,;36.75,-50.97,;35.72,-49.84,;34.24,-50.16,;33.78,-51.6,;28.45,-51.48,;27.11,-52.25,;27.11,-53.79,;24.54,-61.45,;23.2,-60.68,;21.87,-61.47,;21.89,-63.02,;23.25,-63.77,;24.56,-62.98,;25.82,-56.03,;27.16,-56.79,;25.8,-54.49,)| Show InChI InChI=1S/C31H37N9O7/c32-31(33)34-12-6-11-21-27(43)38-22(13-18-15-35-20-10-5-4-9-19(18)20)28(44)40-26(17-7-2-1-3-8-17)29(45)39-23(30(46)47)14-24(41)36-16-25(42)37-21/h1-5,7-10,15,21-23,26,35H,6,11-14,16H2,(H,36,41)(H,37,42)(H,38,43)(H,39,45)(H,40,44)(H,46,47)(H4,32,33,34)/t21-,22+,23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590866
(CHEMBL5187045)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)N4CCC4)cc3)nc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50392999
(CHEMBL2152545)Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590866
(CHEMBL5187045)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)N4CCC4)cc3)nc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429472
(CHEMBL2332835)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O7/c26-25(27)28-10-4-8-15-23(38)33-11-5-9-17(33)21(36)32-20(14-6-2-1-3-7-14)22(37)31-16(24(39)40)12-18(34)29-13-19(35)30-15/h1-3,6-7,15-17,20H,4-5,8-13H2,(H,29,34)(H,30,35)(H,31,37)(H,32,36)(H,39,40)(H4,26,27,28)/t15-,16-,17+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429474
(CHEMBL2332837)Show SMILES [#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H36N8O7/c1-13(2)19-22(37)33-20(14-7-4-3-5-8-14)23(38)31-16(24(39)40)11-17(34)29-12-18(35)30-15(21(36)32-19)9-6-10-28-25(26)27/h3-5,7-8,13,15-16,19-20H,6,9-12H2,1-2H3,(H,29,34)(H,30,35)(H,31,38)(H,32,36)(H,33,37)(H,39,40)(H4,26,27,28)/t15-,16-,19+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50235980
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of vitronectin binding to Integrin alphaVbeta5 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429466
(CHEMBL2332829)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H36N8O8/c30-29(31)32-12-4-7-19-25(41)35-20(13-16-8-10-18(38)11-9-16)26(42)37-24(17-5-2-1-3-6-17)27(43)36-21(28(44)45)14-22(39)33-15-23(40)34-19/h1-3,5-6,8-11,19-21,24,38H,4,7,12-15H2,(H,33,39)(H,34,40)(H,35,41)(H,36,43)(H,37,42)(H,44,45)(H4,30,31,32)/t19-,20+,21-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429470
(CHEMBL2332833)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429468
(CHEMBL2332832)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O9/c26-25(27)28-10-4-7-14-21(38)31-15(8-9-19(36)37)22(39)33-20(13-5-2-1-3-6-13)23(40)32-16(24(41)42)11-17(34)29-12-18(35)30-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,34)(H,30,35)(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/t14-,15+,16-,20+/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590863
(CHEMBL5179658)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590863
(CHEMBL5179658)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50429462
(CHEMBL2332370)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C44H73N9O15S/c45-44(46)48-13-6-10-33-40(59)49-31-38(56)50-36(30-39(57)58)43(62)53-35(29-32-7-2-1-3-8-32)42(61)52-34(41(60)51-33)9-4-5-12-47-37(55)11-27-69-28-26-68-25-24-67-23-22-66-21-20-65-19-18-64-17-16-63-15-14-54/h1-3,7-8,33-36,54H,4-6,9-31H2,(H,47,55)(H,49,59)(H,50,56)(H,51,60)(H,52,61)(H,53,62)(H,57,58)(H4,45,46,48)/t33-,34-,35+,36-/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50235980
(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
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590871
(CHEMBL5198516)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)Nc2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590871
(CHEMBL5198516)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)Nc2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50429470
(CHEMBL2332833)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17+,18-,21+/m0/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429476
(CHEMBL2332839)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H30N8O7/c23-22(24)25-8-4-7-13-19(34)27-11-17(33)30-18(12-5-2-1-3-6-12)20(35)29-14(21(36)37)9-15(31)26-10-16(32)28-13/h1-3,5-6,13-14,18H,4,7-11H2,(H,26,31)(H,27,34)(H,28,32)(H,29,35)(H,30,33)(H,36,37)(H4,23,24,25)/t13-,14-,18+/m0/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429463
(CHEMBL2332371)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8])-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C43H71N9O15S/c44-43(45)47-13-6-10-32-39(57)50-33(40(58)52-38(31-7-2-1-3-8-31)41(59)51-34(42(60)61)29-36(55)48-30-37(56)49-32)9-4-5-12-46-35(54)11-27-68-28-26-67-25-24-66-23-22-65-21-20-64-19-18-63-17-16-62-15-14-53/h1-3,7-8,32-34,38,53H,4-6,9-30H2,(H,46,54)(H,48,55)(H,49,56)(H,50,57)(H,51,59)(H,52,58)(H,60,61)(H4,44,45,47)/t32-,33+,34-,38+/m0/s1 | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590869
(CHEMBL5189021)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N2CCCCC2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590869
(CHEMBL5189021)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N2CCCCC2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50429461
(CHEMBL2332369)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C43H77N15O17/c1-18(2)13-24(35(68)51-23(10-8-12-50-43(47)48)34(67)58-32(21(6)61)41(74)75)53-39(72)28(17-59)56-38(71)26(15-29(62)63)54-36(69)25(14-19(3)4)52-37(70)27(16-30(64)65)55-40(73)31(20(5)60)57-33(66)22(44)9-7-11-49-42(45)46/h18-28,31-32,59-61H,7-17,44H2,1-6H3,(H,51,68)(H,52,70)(H,53,72)(H,54,69)(H,55,73)(H,56,71)(H,57,66)(H,58,67)(H,62,63)(H,64,65)(H,74,75)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429467
(CHEMBL2332830)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C29H36N8O8/c30-29(31)32-12-4-7-19-25(41)35-20(13-16-8-10-18(38)11-9-16)26(42)37-24(17-5-2-1-3-6-17)27(43)36-21(28(44)45)14-22(39)33-15-23(40)34-19/h1-3,5-6,8-11,19-21,24,38H,4,7,12-15H2,(H,33,39)(H,34,40)(H,35,41)(H,36,43)(H,37,42)(H,44,45)(H4,30,31,32)/t19-,20-,21-,24+/m0/s1 | PDB
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antibodypedia
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
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MCE
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MMDB
PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50392999
(CHEMBL2152545)Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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Similars
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
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UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM50392999
(CHEMBL2152545)Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc34)Cc2c1 Show InChI InChI=1S/C25H33N3O2/c1-3-4-5-6-9-15-26-25(29)30-21-12-13-23-20(17-21)18-28-16-14-19-10-7-8-11-22(19)24(28)27(23)2/h7-8,10-13,17,24H,3-6,9,14-16,18H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50590869
(CHEMBL5189021)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N2CCCCC2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50590869
(CHEMBL5189021)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N2CCCCC2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50429459
(CHEMBL2332367)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#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/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429465
(CHEMBL2332828)Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,24.24,wD:20.40,(12.29,-45.51,;10.96,-46.28,;9.62,-45.51,;10.96,-47.82,;9.62,-48.59,;9.62,-50.13,;8.28,-50.91,;8.28,-52.45,;6.95,-53.22,;5.61,-52.45,;5.61,-50.91,;4.28,-53.22,;4.29,-54.74,;5.63,-55.5,;6.96,-54.71,;5.65,-57.04,;6.99,-57.78,;7.01,-59.34,;8.35,-60.09,;9.68,-59.31,;8.37,-61.63,;9.72,-62.39,;12.28,-54.75,;13.62,-55.52,;12.27,-53.21,;13.58,-52.44,;14.9,-53.2,;15.06,-54.7,;16.55,-55.01,;17.3,-53.7,;18.78,-53.38,;19.25,-51.93,;18.22,-50.81,;16.75,-51.13,;16.28,-52.57,;10.96,-52.45,;9.62,-53.22,;9.62,-54.76,;7.05,-62.42,;5.7,-61.65,;4.38,-62.44,;4.39,-63.99,;5.75,-64.74,;7.07,-63.95,;8.32,-57,;9.66,-57.76,;8.31,-55.46,)| Show InChI InChI=1S/C31H37N9O7/c32-31(33)34-12-6-11-21-27(43)38-22(13-18-15-35-20-10-5-4-9-19(18)20)28(44)40-26(17-7-2-1-3-8-17)29(45)39-23(30(46)47)14-24(41)36-16-25(42)37-21/h1-5,7-10,15,21-23,26,35H,6,11-14,16H2,(H,36,41)(H,37,42)(H,38,43)(H,39,45)(H,40,44)(H,46,47)(H4,32,33,34)/t21-,22-,23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590864
(CHEMBL5170719)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)NCCCCCCN4CCc5ccccc5C4)cc3)nc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590864
(CHEMBL5170719)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)NCCCCCCN4CCc5ccccc5C4)cc3)nc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590867
(CHEMBL5201804)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429469
(CHEMBL2332831)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O9/c26-25(27)28-10-4-7-14-21(38)31-15(8-9-19(36)37)22(39)33-20(13-5-2-1-3-6-13)23(40)32-16(24(41)42)11-17(34)29-12-18(35)30-14/h1-3,5-6,14-16,20H,4,7-12H2,(H,29,34)(H,30,35)(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)(H4,26,27,28)/t14-,15-,16-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50429464
(CHEMBL2332827)Show SMILES NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,wD:20.40,24.24,(29.78,-44.54,;28.45,-45.31,;27.11,-44.54,;28.45,-46.85,;27.11,-47.62,;27.11,-49.16,;25.77,-49.94,;25.77,-51.48,;24.44,-52.25,;23.1,-51.48,;23.1,-49.94,;21.77,-52.25,;21.79,-53.77,;23.13,-54.53,;24.46,-53.74,;23.15,-56.07,;24.49,-56.81,;24.51,-58.37,;25.85,-59.12,;27.18,-58.34,;25.87,-60.66,;27.21,-61.42,;29.78,-53.78,;31.12,-54.55,;29.77,-52.24,;31.08,-51.47,;32.4,-52.23,;32.56,-53.73,;34.05,-54.04,;34.8,-52.73,;36.28,-52.41,;36.75,-50.97,;35.72,-49.84,;34.24,-50.16,;33.78,-51.6,;28.45,-51.48,;27.11,-52.25,;27.11,-53.79,;24.54,-61.45,;23.2,-60.68,;21.87,-61.47,;21.89,-63.02,;23.25,-63.77,;24.56,-62.98,;25.82,-56.03,;27.16,-56.79,;25.8,-54.49,)| Show InChI InChI=1S/C31H37N9O7/c32-31(33)34-12-6-11-21-27(43)38-22(13-18-15-35-20-10-5-4-9-19(18)20)28(44)40-26(17-7-2-1-3-8-17)29(45)39-23(30(46)47)14-24(41)36-16-25(42)37-21/h1-5,7-10,15,21-23,26,35H,6,11-14,16H2,(H,36,41)(H,37,42)(H,38,43)(H,39,45)(H,40,44)(H,46,47)(H4,32,33,34)/t21-,22+,23-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429471
(CHEMBL2332834)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C26H39N9O7/c27-11-5-4-9-17-23(39)35-21(15-7-2-1-3-8-15)24(40)34-18(25(41)42)13-19(36)31-14-20(37)32-16(22(38)33-17)10-6-12-30-26(28)29/h1-3,7-8,16-18,21H,4-6,9-14,27H2,(H,31,36)(H,32,37)(H,33,38)(H,34,40)(H,35,39)(H,41,42)(H4,28,29,30)/t16-,17-,18-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590867
(CHEMBL5201804)Show SMILES CCCCCCCNC(=O)Oc1ccc(Cc2nc3cc(ccc3n2CCN2CCCCC2)C(=O)N(CC)CC)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50429476
(CHEMBL2332839)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C22H30N8O7/c23-22(24)25-8-4-7-13-19(34)27-11-17(33)30-18(12-5-2-1-3-6-12)20(35)29-14(21(36)37)9-15(31)26-10-16(32)28-13/h1-3,5-6,13-14,18H,4,7-11H2,(H,26,31)(H,27,34)(H,28,32)(H,29,35)(H,30,33)(H,36,37)(H4,23,24,25)/t13-,14-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429473
(CHEMBL2332836)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H34N8O7/c26-25(27)28-10-4-8-15-23(38)33-11-5-9-17(33)21(36)32-20(14-6-2-1-3-7-14)22(37)31-16(24(39)40)12-18(34)29-13-19(35)30-15/h1-3,6-7,15-17,20H,4-5,8-13H2,(H,29,34)(H,30,35)(H,31,37)(H,32,36)(H,39,40)(H4,26,27,28)/t15-,16-,17-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429475
(CHEMBL2332838)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H36N8O7/c1-13(2)19-22(37)33-20(14-7-4-3-5-8-14)23(38)31-16(24(39)40)11-17(34)29-12-18(35)30-15(21(36)32-19)9-6-10-28-25(26)27/h3-5,7-8,13,15-16,19-20H,6,9-12H2,1-2H3,(H,29,34)(H,30,35)(H,31,38)(H,32,36)(H,33,37)(H,39,40)(H4,26,27,28)/t15-,16-,19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590865
(CHEMBL5183869)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)N4CCCC4)cc3)nc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
Integrin alpha-5/beta-1
(Homo sapiens (Human)) | BDBM50429459
(CHEMBL2332367)Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#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/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1 | PDB
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Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description
Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x
BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
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Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50590865
(CHEMBL5183869)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(=O)N4CCCC4)cc3)nc2c1 | PDB
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Reactome pathway
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TBA
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Citation and Details
Article DOI: 10.1039/d2md00087c
BindingDB Entry DOI: 10.7270/Q2W66QRK |
More data for this
Ligand-Target Pair | |
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