Found 5522 hits with Last Name = 'robinson' and Initial = 'm' 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 |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240606
![PNG](/data/jpeg/tenK5024/BindingDB_50240606.png) ((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Activity at CB2 receptor (unknown origin) |
Eur J Med Chem 43: 513-39 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.007 BindingDB Entry DOI: 10.7270/Q2G73DGR |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
![PNG](/data/jpeg/tenK5023/BindingDB_50234418.png) ((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Activity at CB2 receptor (unknown origin) |
Eur J Med Chem 43: 513-39 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.007 BindingDB Entry DOI: 10.7270/Q2G73DGR |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM17660
![PNG](/data/jpeg/tenK1/BindingDB_17660.png) ((2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl...)Show InChI InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM82007
![PNG](/data/jpeg/tenK8/BindingDB_82007.png) (L-2-L-2-amino-4-(5-tetrazolyl)butanoic acid | L-gl...)Show InChI InChI=1S/C6H9N5O4/c7-3(6(14)15)1-2(5(12)13)4-8-10-11-9-4/h2-3H,1,7H2,(H,12,13)(H,14,15)(H,8,9,10,11)/t2?,3-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50007548
![PNG](/data/jpeg/tenK5000/BindingDB_50007548.png) ((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM17657
![PNG](/data/jpeg/tenK1/BindingDB_17657.png) ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM82008
![PNG](/data/jpeg/tenK8/BindingDB_82008.png) (2-amino-4-(methylphosphino) butanoic acid | CAS_77...)Show InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/p-2 | PDB
UniProtKB/SwissProt
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MCE KEGG PC cid PC sid UniChem
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| Article PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM18125
![PNG](/data/jpeg/tenK1/BindingDB_18125.png) ((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM82005
![PNG](/data/jpeg/tenK8/BindingDB_82005.png) (gamma-methyl-APB)Show InChI InChI=1S/C5H12NO5P/c1-3(12(9,10)11)2-4(6)5(7)8/h3-4H,2,6H2,1H3,(H,7,8)(H2,9,10,11)/t3?,4-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM26431
![PNG](/data/jpeg/tenK2/BindingDB_26431.png) ((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM31174
![PNG](/data/jpeg/tenK3/BindingDB_31174.png) (CHEMBL29757 | D-Aspartate | D-Aspartic Acid)Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM81977
![PNG](/data/jpeg/tenK8/BindingDB_81977.png) (CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)Show InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1 | PDB
UniProtKB/SwissProt
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MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM82006
![PNG](/data/jpeg/tenK8/BindingDB_82006.png) (D-AP4 | D-APB | US9212196, L-AP4)Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by PDSP Ki Database
| |
Biochemistry 24: 2401-5 (1985)
Article DOI: 10.1021/bi00331a002 BindingDB Entry DOI: 10.7270/Q2W094FK |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50421639
![PNG](/data/jpeg/tenK5042/BindingDB_50421639.png) (CHEMBL2110195)Show SMILES CC(C)(C)C(=O)N\C(=C/c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H20Cl2N2O4/c1-21(2,3)20(29)25-16(19(27)28)11-12-7-9-13(10-8-12)24-18(26)17-14(22)5-4-6-15(17)23/h4-11H,1-3H3,(H,24,26)(H,25,29)(H,27,28)/b16-11- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of VLA-4 to VCAM-1 binding |
Bioorg Med Chem Lett 13: 805-8 (2003)
BindingDB Entry DOI: 10.7270/Q25M670J |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111241
![PNG](/data/jpeg/tenK5011/BindingDB_50111241.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-8-29(2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-4-6-13(7-5-12)27-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,28H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111261
![PNG](/data/jpeg/tenK5011/BindingDB_50111261.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-3-28(2)18-17(19(29)20(18)30)27-15(22(32)33)8-11-4-6-12(7-5-11)26-21(31)16-13(23)9-25-10-14(16)24/h4-7,9-10,15,27H,3,8H2,1-2H3,(H,26,31)(H,32,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111240
![PNG](/data/jpeg/tenK5011/BindingDB_50111240.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCSCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O5S/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells) |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50008022
![PNG](/data/jpeg/tenK5000/BindingDB_50008022.png) ((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12 Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Agonist activity at CB1 receptor (unknown origin) |
Eur J Med Chem 43: 513-39 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.007 BindingDB Entry DOI: 10.7270/Q2G73DGR |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111251
![PNG](/data/jpeg/tenK5011/BindingDB_50111251.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-29(4-2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-5-7-13(8-6-12)27-22(32)17-14(24)10-26-11-15(17)25/h5-8,10-11,16,28H,3-4,9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111253
![PNG](/data/jpeg/tenK5011/BindingDB_50111253.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCNCC2)c(=O)c1=O Show InChI InChI=1S/C23H21Cl2N5O5/c24-14-10-27-11-15(25)17(14)22(33)28-13-3-1-12(2-4-13)9-16(23(34)35)29-18-19(21(32)20(18)31)30-7-5-26-6-8-30/h1-4,10-11,16,26,29H,5-9H2,(H,28,33)(H,34,35)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111238
![PNG](/data/jpeg/tenK5011/BindingDB_50111238.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCCCC2)c(=O)c1=O Show InChI InChI=1S/C24H22Cl2N4O5/c25-15-11-27-12-16(26)18(15)23(33)28-14-6-4-13(5-7-14)10-17(24(34)35)29-19-20(22(32)21(19)31)30-8-2-1-3-9-30/h4-7,11-12,17,29H,1-3,8-10H2,(H,28,33)(H,34,35)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111230
![PNG](/data/jpeg/tenK5011/BindingDB_50111230.png) ((S)-2-(2-Butylamino-3,4-dioxo-cyclobut-1-enylamino...)Show SMILES CCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-2-3-8-27-18-19(21(31)20(18)30)29-16(23(33)34)9-12-4-6-13(7-5-12)28-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,27,29H,2-3,8-9H2,1H3,(H,28,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111248
![PNG](/data/jpeg/tenK5011/BindingDB_50111248.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCN1CCN(CC1)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C25H25Cl2N5O5/c1-2-31-7-9-32(10-8-31)21-20(22(33)23(21)34)30-18(25(36)37)11-14-3-5-15(6-4-14)29-24(35)19-16(26)12-28-13-17(19)27/h3-6,12-13,18,30H,2,7-11H2,1H3,(H,29,35)(H,36,37)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111258
![PNG](/data/jpeg/tenK5011/BindingDB_50111258.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C21H18Cl2N4O5/c1-27(2)17-16(18(28)19(17)29)26-14(21(31)32)7-10-3-5-11(6-4-10)25-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,26H,7H2,1-2H3,(H,25,30)(H,31,32)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111256
![PNG](/data/jpeg/tenK5011/BindingDB_50111256.png) ((S)-2-(2-sec-Butylamino-3,4-dioxo-cyclobut-1-enyla...)Show SMILES CCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-11(2)27-18-19(21(31)20(18)30)29-16(23(33)34)8-12-4-6-13(7-5-12)28-22(32)17-14(24)9-26-10-15(17)25/h4-7,9-11,16,27,29H,3,8H2,1-2H3,(H,28,32)(H,33,34)/t11?,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111229
![PNG](/data/jpeg/tenK5011/BindingDB_50111229.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CC(C)CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-11(2)8-27-18-19(21(31)20(18)30)29-16(23(33)34)7-12-3-5-13(6-4-12)28-22(32)17-14(24)9-26-10-15(17)25/h3-6,9-11,16,27,29H,7-8H2,1-2H3,(H,28,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114276
![PNG](/data/jpeg/tenK5011/BindingDB_50114276.png) ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H20Cl2N4O5S/c1-11(28)27-10-33-9-17(27)19(29)26-16(21(31)32)6-12-2-4-13(5-3-12)25-20(30)18-14(22)7-24-8-15(18)23/h2-5,7-8,16-17H,6,9-10H2,1H3,(H,25,30)(H,26,29)(H,31,32)/t16-,17+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay. |
Bioorg Med Chem Lett 12: 1591-4 (2002)
BindingDB Entry DOI: 10.7270/Q23T9JHK |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114291
![PNG](/data/jpeg/tenK5011/BindingDB_50114291.png) ((S)-2-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-3...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)c1c(Cl)cncc1Cl Show InChI InChI=1S/C21H14Cl4N4O4/c22-12-6-26-7-13(23)17(12)19(30)28-11-3-1-10(2-4-11)5-16(21(32)33)29-20(31)18-14(24)8-27-9-15(18)25/h1-4,6-9,16H,5H2,(H,28,30)(H,29,31)(H,32,33)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of VLA-4 expressed in Jurkat cell line, in a cell-based adhesion assay. |
Bioorg Med Chem Lett 12: 1591-4 (2002)
BindingDB Entry DOI: 10.7270/Q23T9JHK |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111259
![PNG](/data/jpeg/tenK5011/BindingDB_50111259.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(N2CCOCC2)c(=O)c1=O Show InChI InChI=1S/C23H20Cl2N4O6/c24-14-10-26-11-15(25)17(14)22(32)27-13-3-1-12(2-4-13)9-16(23(33)34)28-18-19(21(31)20(18)30)29-5-7-35-8-6-29/h1-4,10-11,16,28H,5-9H2,(H,27,32)(H,33,34)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114276
![PNG](/data/jpeg/tenK5011/BindingDB_50114276.png) ((S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amin...)Show SMILES CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H20Cl2N4O5S/c1-11(28)27-10-33-9-17(27)19(29)26-16(21(31)32)6-12-2-4-13(5-3-12)25-20(30)18-14(22)7-24-8-15(18)23/h2-5,7-8,16-17H,6,9-10H2,1H3,(H,25,30)(H,26,29)(H,31,32)/t16-,17+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay. |
Bioorg Med Chem Lett 12: 1591-4 (2002)
BindingDB Entry DOI: 10.7270/Q23T9JHK |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111260
![PNG](/data/jpeg/tenK5011/BindingDB_50111260.png) ((S)-2-(2-Diethylamino-3,4-dioxo-cyclobut-1-enylami...)Show SMILES CCN(CC)c1c(N[C@@H](Cc2ccc(cc2)-c2c(OC)cccc2OC)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C25H28N2O6/c1-5-27(6-2)22-21(23(28)24(22)29)26-17(25(30)31)14-15-10-12-16(13-11-15)20-18(32-3)8-7-9-19(20)33-4/h7-13,17,26H,5-6,14H2,1-4H3,(H,30,31)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111244
![PNG](/data/jpeg/tenK5011/BindingDB_50111244.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H24Cl2N4O5/c1-3-4-12(2)28-19-20(22(32)21(19)31)30-17(24(34)35)9-13-5-7-14(8-6-13)29-23(33)18-15(25)10-27-11-16(18)26/h5-8,10-12,17,28,30H,3-4,9H2,1-2H3,(H,29,33)(H,34,35)/t12?,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111249
![PNG](/data/jpeg/tenK5011/BindingDB_50111249.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C21H18Cl2N4O5/c1-2-25-16-17(19(29)18(16)28)27-14(21(31)32)7-10-3-5-11(6-4-10)26-20(30)15-12(22)8-24-9-13(15)23/h3-6,8-9,14,25,27H,2,7H2,1H3,(H,26,30)(H,31,32)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
![PNG](/data/jpeg/tenK42/BindingDB_420298.png) (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PDB UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma
(Canis lupus familiaris (Dog)) | BDBM14397
![PNG](/data/jpeg/tenK1/BindingDB_14397.png) (5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-1H,6...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(C)=O Show InChI InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer
| Assay Description PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-... |
J Med Chem 49: 3581-94 (2006)
Article DOI: 10.1021/jm060113e BindingDB Entry DOI: 10.7270/Q2C24TP4 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114291
![PNG](/data/jpeg/tenK5011/BindingDB_50114291.png) ((S)-2-[(3,5-Dichloro-pyridine-4-carbonyl)-amino]-3...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)c1c(Cl)cncc1Cl Show InChI InChI=1S/C21H14Cl4N4O4/c22-12-6-26-7-13(23)17(12)19(30)28-11-3-1-10(2-4-11)5-16(21(32)33)29-20(31)18-14(24)8-27-9-15(18)25/h1-4,6-9,16H,5H2,(H,28,30)(H,29,31)(H,32,33)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay. |
Bioorg Med Chem Lett 12: 1591-4 (2002)
BindingDB Entry DOI: 10.7270/Q23T9JHK |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14408
![PNG](/data/jpeg/tenK1/BindingDB_14408.png) (5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-me...)Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O Show InChI InChI=1S/C23H27N7O3/c1-5-7-10-33-23-16(11-15(12-25-23)14(3)31)21-26-19-17(6-2)30(28-20(19)22(32)27-21)13-18-24-8-9-29(18)4/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-... |
J Med Chem 49: 3581-94 (2006)
Article DOI: 10.1021/jm060113e BindingDB Entry DOI: 10.7270/Q2C24TP4 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111225
![PNG](/data/jpeg/tenK5011/BindingDB_50111225.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C20H16Cl2N4O5/c1-23-15-16(18(28)17(15)27)26-13(20(30)31)6-9-2-4-10(5-3-9)25-19(29)14-11(21)7-24-8-12(14)22/h2-5,7-8,13,23,26H,6H2,1H3,(H,25,29)(H,30,31)/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208443
![PNG](/data/jpeg/tenK20/BindingDB_208443.png) (US9266869, 1)Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(C)=O Show InChI InChI=1S/C22H20N4O4S/c1-14-9-10-30-19(14)22(28)25-18-6-4-5-15(11-18)7-8-16-12-17(13-24-20(16)23)21(27)26-31(2,3)29/h4-6,9-13H,1-3H3,(H2,23,24)(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208475
![PNG](/data/jpeg/tenK20/BindingDB_208475.png) (US9266869, 33)Show SMILES COC(=O)CCCC[S@@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r| Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111232
![PNG](/data/jpeg/tenK5011/BindingDB_50111232.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCCCNc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C24H24Cl2N4O5/c1-2-3-4-9-28-19-20(22(32)21(19)31)30-17(24(34)35)10-13-5-7-14(8-6-13)29-23(33)18-15(25)11-27-12-16(18)26/h5-8,11-12,17,28,30H,2-4,9-10H2,1H3,(H,29,33)(H,34,35)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111252
![PNG](/data/jpeg/tenK5011/BindingDB_50111252.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCCCC(F)(F)F)c(=O)c1=O Show InChI InChI=1S/C23H19Cl2F3N4O5/c24-13-9-29-10-14(25)16(13)21(35)31-12-4-2-11(3-5-12)8-15(22(36)37)32-18-17(19(33)20(18)34)30-7-1-6-23(26,27)28/h2-5,9-10,15,30,32H,1,6-8H2,(H,31,35)(H,36,37)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111250
![PNG](/data/jpeg/tenK5011/BindingDB_50111250.png) (2-(2-Allylamino-3,4-dioxo-cyclobut-1-enylamino)-3-...)Show SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(NCC=C)c(=O)c1=O Show InChI InChI=1S/C22H18Cl2N4O5/c1-2-7-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-3-5-12(6-4-11)27-21(31)16-13(23)9-25-10-14(16)24/h2-6,9-10,15,26,28H,1,7-8H2,(H,27,31)(H,32,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208481
![PNG](/data/jpeg/tenK20/BindingDB_208481.png) (US9266869, 39)Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)C(=O)N=S(C)(=O)CCCO Show InChI InChI=1S/C24H23N3O5S/c1-17-9-11-32-22(17)24(30)26-21-6-3-5-18(14-21)7-8-19-13-20(16-25-15-19)23(29)27-33(2,31)12-4-10-28/h3,5-6,9,11,13-16,28H,4,10,12H2,1-2H3,(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208478
![PNG](/data/jpeg/tenK20/BindingDB_208478.png) (US9266869, 36)Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(c1)C(=O)Nc1cc(on1)C(C)(C)C Show InChI InChI=1S/C29H33N5O6S/c1-29(2,3)23-17-24(33-40-23)32-27(36)21-10-8-9-19(15-21)12-13-20-16-22(18-31-26(20)30)28(37)34-41(5,38)14-7-6-11-25(35)39-4/h8-10,15-18H,6-7,11,14H2,1-5H3,(H2,30,31)(H,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50111236
![PNG](/data/jpeg/tenK5011/BindingDB_50111236.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CC(C)Nc1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-10(2)26-17-18(20(30)19(17)29)28-15(22(32)33)7-11-3-5-12(6-4-11)27-21(31)16-13(23)8-25-9-14(16)24/h3-6,8-10,15,26,28H,7H2,1-2H3,(H,27,31)(H,32,33)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay |
Bioorg Med Chem Lett 12: 1051-4 (2002)
BindingDB Entry DOI: 10.7270/Q24T6HQ1 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208474
![PNG](/data/jpeg/tenK20/BindingDB_208474.png) (US9266869, 32)Show SMILES COC(=O)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 |r| Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50114316
![PNG](/data/jpeg/tenK5011/BindingDB_50114316.png) ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...)Show SMILES CCCS(=O)(=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)ncn1 Show InChI InChI=1S/C22H21Cl2N5O5S/c1-2-7-35(33,34)19-9-18(26-12-27-19)29-17(22(31)32)8-13-3-5-14(6-4-13)28-21(30)20-15(23)10-25-11-16(20)24/h3-6,9-12,17H,2,7-8H2,1H3,(H,28,30)(H,31,32)(H,26,27,29)/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd
Curated by ChEMBL
| Assay Description Inhibition of very late antigen 4 expressed in Jurkat cell line, in a cell-based adhesion assay |
Bioorg Med Chem Lett 12: 1595-8 (2002)
BindingDB Entry DOI: 10.7270/Q2028STM |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208465
![PNG](/data/jpeg/tenK20/BindingDB_208465.png) (US9266869, 23)Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1 Show InChI InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM208468
![PNG](/data/jpeg/tenK20/BindingDB_208468.png) (US9266869, 26)Show SMILES COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2cccc(C)c2)c1 Show InChI InChI=1S/C29H30N4O5S/c1-20-8-6-10-23(16-20)28(35)32-25-11-7-9-21(17-25)13-14-22-18-24(19-31-27(22)30)29(36)33-39(3,37)15-5-4-12-26(34)38-2/h6-11,16-19H,4-5,12,15H2,1-3H3,(H2,30,31)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | 37 |
Allergan, Inc.
US Patent
| Assay Description Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used
to screen for inhibitors of VEGF induced increases in intracellular
calcium... |
US Patent US9266869 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9H33 |
More data for this Ligand-Target Pair | |