Found 223 hits with Last Name = 'iqbal' and Initial = 'a' 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 |
|---|
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50239422
(CHEMBL234346)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50239422
(CHEMBL234346)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O5/c1-6-11(4)15(19(27)28)22-17(25)13-8-7-9-23(13)18(26)14(10(2)3)21-16(24)12(5)20/h10-15H,6-9,20H2,1-5H3,(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112617
(CHEMBL3608786)Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Vascular endothelial growth factor receptor 3 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136019
(9-ethoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...)Show SMILES CCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O3/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112628
(CHEMBL3608789)Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112631
(CHEMBL3608790)Show SMILES C[C@H](NC(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C25H21F3N4O2/c1-15-9-10-17(16(2)30-23(33)18-6-5-7-19(12-18)25(26,27)28)13-20(15)31-24(34)21-14-29-22-8-3-4-11-32(21)22/h3-14,16H,1-2H3,(H,30,33)(H,31,34)/t16-/m0/s1 | 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 | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50112618
(CHEMBL3608787)Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112634
(CHEMBL3608791)Show SMILES C[C@H](Nc1nc2cc(F)ccc2o1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112618
(CHEMBL3608787)Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1 | 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 | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50112615
(CHEMBL3608785)Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30) | 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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50218973
(CHEMBL44001)Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H17FO4S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(24-19)12-7-9-15(10-8-12)25(3,22)23/h4-11H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.32 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112615
(CHEMBL3608785)Show SMILES Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H21N5O2/c1-16-10-11-17(14-25-23(30)26-18-7-3-2-4-8-18)13-19(16)27-22(29)20-15-24-21-9-5-6-12-28(20)21/h2-13,15H,14H2,1H3,(H,27,29)(H2,25,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Phospholipase A2
(Apis mellifera) | BDBM50524139
(CHEMBL4467602)Show SMILES CC(=O)OC(CCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:22,30| Show InChI InChI=1S/C26H38O10/c1-17(27)33-21(19-15-23(29)35-25(19)31)13-11-9-7-5-3-4-6-8-10-12-14-22(34-18(2)28)20-16-24(30)36-26(20)32/h15-16,21-22,25-26,31-32H,3-14H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe... |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156012
(US9018214, 63)Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/t18-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonist activity at cIAP1-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay |
J Med Chem 58: 6574-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00706
BindingDB Entry DOI: 10.7270/Q2DR2X8F |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136018
(9-(tert-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,...)Show SMILES CC(C)(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-29(2,3)34-16-17-9-10-23-20(13-17)25-22-15-30-28(33)26(22)24-19-8-5-4-7-18(19)14-21(24)27(25)31(23)11-6-12-32/h4-5,7-10,13,32H,6,11-12,14-16H2,1-3H3,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50024274
(CHEMBL2448133)Show SMILES CC[C@@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136013
(9-(sec-butoxymethyl)-12-(3-hydroxypropyl)-6,7,12,1...)Show SMILES CCC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136021
(12-(3-hydroxypropyl)-9-propoxymethyl-6,7,12,13-tet...)Show SMILES CCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-2-12-33-16-17-8-9-23-20(13-17)25-22-15-29-28(32)26(22)24-19-7-4-3-6-18(19)14-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,13,31H,2,5,10-12,14-16H2,1H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM156086
(US9018214, 137)Show SMILES COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/t18-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
MMDB
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CHEMBL
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PC sid
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Vascular endothelial growth factor receptor 1 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136017
(12-(3-hydroxypropyl)-9-methoxymethyl-6,7,12,13-tet...)Show SMILES COCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H24N2O3/c1-31-14-15-7-8-21-18(11-15)23-20-13-27-26(30)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,29H,4,9-10,12-14H2,1H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136024
(3-(9-isopropoxymethyl-5-oxo-6,7,12,13-tetrahydro-5...)Show SMILES CC(C)OCc1ccc2n(CCCOC(=O)CN(C)C)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C32H35N3O4/c1-19(2)39-18-20-10-11-26-23(14-20)29-25-16-33-32(37)30(25)28-22-9-6-5-8-21(22)15-24(28)31(29)35(26)12-7-13-38-27(36)17-34(3)4/h5-6,8-11,14,19H,7,12-13,15-18H2,1-4H3,(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136015
(9-butoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...)Show SMILES CCCCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C29H30N2O3/c1-2-3-13-34-17-18-9-10-24-21(14-18)26-23-16-30-29(33)27(23)25-20-8-5-4-7-19(20)15-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,14,32H,2-3,6,11-13,15-17H2,1H3,(H,30,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112617
(CHEMBL3608786)Show SMILES Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Show InChI InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50024273
(CHEMBL2112040)Show SMILES CC[C@H](C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 |r| Show InChI InChI=1S/C29H30N2O3/c1-3-17(2)34-16-18-9-10-24-21(13-18)26-23-15-30-29(33)27(23)25-20-8-5-4-7-19(20)14-22(25)28(26)31(24)11-6-12-32/h4-5,7-10,13,17,32H,3,6,11-12,14-16H2,1-2H3,(H,30,33)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Phospholipase A2
(Apis mellifera) | BDBM50524135
(CHEMBL4570349)Show SMILES CC(C)(C)C(=O)OC(CCCCCCCCCCCCC(OC(=O)C(C)(C)C)C1=CC(=O)OC1O)C1=CC(=O)OC1O |t:28,36| Show InChI InChI=1S/C32H50O10/c1-31(2,3)29(37)39-23(21-19-25(33)41-27(21)35)17-15-13-11-9-7-8-10-12-14-16-18-24(40-30(38)32(4,5)6)22-20-26(34)42-28(22)36/h19-20,23-24,27-28,35-36H,7-18H2,1-6H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe... |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136022
(9-ethylsulfanylmethyl-12-(3-hydroxypropyl)-6,7,12,...)Show SMILES CCSCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O2S/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Phospholipase A2
(Apis mellifera) | BDBM50524140
(CHEMBL4447483)Show SMILES OC1OC(=O)C=C1C(CCCCCCCCCCC(OC(=O)Nc1ccccc1)C1=CC(=O)OC1O)OC(=O)Nc1ccccc1 |c:5,t:31| Show InChI InChI=1S/C34H40N2O10/c37-29-21-25(31(39)45-29)27(43-33(41)35-23-15-9-7-10-16-23)19-13-5-3-1-2-4-6-14-20-28(26-22-30(38)46-32(26)40)44-34(42)36-24-17-11-8-12-18-24/h7-12,15-18,21-22,27-28,31-32,39-40H,1-6,13-14,19-20H2,(H,35,41)(H,36,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl furthe... |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136020
(9-(1-ethylpropoxymethyl)-12-(3-hydroxypropyl)-6,7,...)Show SMILES CCC(CC)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C30H32N2O3/c1-3-20(4-2)35-17-18-10-11-25-22(14-18)27-24-16-31-30(34)28(24)26-21-9-6-5-8-19(21)15-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,14,20,33H,3-4,7,12-13,15-17H2,1-2H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50004000
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the Punjab
Curated by ChEMBL
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 30... |
Eur J Med Chem 138: 396-406 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.036
BindingDB Entry DOI: 10.7270/Q2KK9FDX |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156129
(US9018214, 180)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](CN2CCCC2=O)CN1 |r| Show InChI InChI=1S/C28H37N5O2/c1-20-16-32(23(15-29-20)17-31-11-7-10-25(31)34)18-26(35)33-19-28(2,3)27-24(33)13-22(14-30-27)12-21-8-5-4-6-9-21/h4-6,8-9,13-14,20,23,29H,7,10-12,15-19H2,1-3H3/t20-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136030
(12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-5H-inden...)Show SMILES OCCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C24H20N2O2/c27-11-5-10-26-19-9-4-3-8-16(19)21-18-13-25-24(28)22(18)20-15-7-2-1-6-14(15)12-17(20)23(21)26/h1-4,6-9,27H,5,10-13H2,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50143486
(CHEMBL366422 | N-Acetyl-4-[4-(4-methanesulfonyl-ph...)Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(cc1)S(C)(=O)=O |t:14| Show InChI InChI=1S/C19H17NO7S2/c1-12(21)20-29(25,26)16-9-3-13(4-10-16)17-11-27-19(22)18(17)14-5-7-15(8-6-14)28(2,23)24/h3-10H,11H2,1-2H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of ovine COX2 assessed as reduction in PGF2alpha production incubated for 15 mins by ELISA method |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136031
(9-isopropoxymethyl-6,7,12,13-tetrahydro-5H-indeno[...)Show SMILES CC(C)OCc1ccc2[nH]c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-12-14-7-8-20-17(9-14)22-19-11-26-25(28)23(19)21-16-6-4-3-5-15(16)10-18(21)24(22)27-20/h3-9,13,27H,10-12H2,1-2H3,(H,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136028
(12-(3-hydroxypropyl)-9-isopropylsulfanylmethyl-6,7...)Show SMILES CC(C)SCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O2S/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50136008
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Proto-oncogene tyrosine-protein kinase Kit |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136016
(12-(3-hydroxypropyl)-9-(1-methoxyethyl)-6,7,12,13-...)Show SMILES COC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C27H26N2O3/c1-15(32-2)16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,15,30H,5,10-11,13-14H2,1-2H3,(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136025
(9-bromo-12-(3-hydroxypropyl)-6,7,12,13-tetrahydro-...)Show SMILES OCCCn1c2ccc(Br)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C24H19BrN2O2/c25-14-6-7-19-16(11-14)21-18-12-26-24(29)22(18)20-15-5-2-1-4-13(15)10-17(20)23(21)27(19)8-3-9-28/h1-2,4-7,11,28H,3,8-10,12H2,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136033
(12-(3-hydroxypropyl)-5-oxo-6,7,12,13-tetrahydro-5H...)Show SMILES OCCCn1c2ccc(C=O)cc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C25H20N2O3/c28-9-3-8-27-20-7-6-14(13-29)10-17(20)22-19-12-26-25(30)23(19)21-16-5-2-1-4-15(16)11-18(21)24(22)27/h1-2,4-7,10,13,28H,3,8-9,11-12H2,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136012
(12-(2-hydroxyethyl)-6,7,12,13-tetrahydro-5H-indeno...)Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4Cc3c12 Show InChI InChI=1S/C23H18N2O2/c26-10-9-25-18-8-4-3-7-15(18)20-17-12-24-23(27)21(17)19-14-6-2-1-5-13(14)11-16(19)22(20)25/h1-8,26H,9-12H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM14177
(3,13-diazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,...)Show SMILES O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21 Show InChI InChI=1S/C21H14N2O/c24-21-19-15(10-22-21)18-13-7-3-4-8-16(13)23-20(18)14-9-11-5-1-2-6-12(11)17(14)19/h1-8,23H,9-10H2,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM156120
(US9018214, 171)Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](Cn2cc(F)cn2)CN1 |r| Show InChI InChI=1S/C27H33FN6O/c1-19-14-32(23(13-29-19)16-33-15-22(28)12-31-33)17-25(35)34-18-27(2,3)26-24(34)10-21(11-30-26)9-20-7-5-4-6-8-20/h4-8,10-12,15,19,23,29H,9,13-14,16-18H2,1-3H3/t19-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
J Med Chem 60: 4611-4625 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01877
BindingDB Entry DOI: 10.7270/Q2KK9DX7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136010
(9-(1-hydroxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-...)Show SMILES CC(O)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C26H24N2O3/c1-14(30)15-7-8-21-18(11-15)23-20-13-27-26(31)24(20)22-17-6-3-2-5-16(17)12-19(22)25(23)28(21)9-4-10-29/h2-3,5-8,11,14,29-30H,4,9-10,12-13H2,1H3,(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50136029
(9-(1-butoxyethyl)-12-(3-hydroxypropyl)-6,7,12,13-t...)Show SMILES CCCCOC(C)c1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1 Show InChI InChI=1S/C30H32N2O3/c1-3-4-14-35-18(2)19-10-11-25-22(15-19)27-24-17-31-30(34)28(24)26-21-9-6-5-8-20(21)16-23(26)29(27)32(25)12-7-13-33/h5-6,8-11,15,18,33H,3-4,7,12-14,16-17H2,1-2H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2 |
J Med Chem 46: 5375-88 (2003)
Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50218964
(CHEMBL44223)Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4| Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description
Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA |
Eur J Med Chem 171: 66-92 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.021
BindingDB Entry DOI: 10.7270/Q2X92FQN |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50112628
(CHEMBL3608789)Show SMILES C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-17(16(2)27-24(32)28-19-7-5-6-18(25)13-19)12-20(15)29-23(31)21-14-26-22-8-3-4-11-30(21)22/h3-14,16H,1-2H3,(H,29,31)(H2,27,28,32)/t16-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
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| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method |
ACS Med Chem Lett 6: 798-803 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00143
BindingDB Entry DOI: 10.7270/Q2SQ925G |
More data for this
Ligand-Target Pair | |
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