Found 39 hits with Last Name = 'schweighoffer' and Initial = 'f' 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 |
|---|
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM101038
(US8524917, 11 | US8563594, 169)Show SMILES CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C29H30F2N2O2/c1-4-14-35-22-11-12-23-26(16-22)33(18-20-8-6-5-7-9-20)28(19(2)3)27(23)29(34)32-17-21-10-13-24(30)25(31)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM101039
(US8524917, 12 | US8563594, 170)Show SMILES CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C29H30F2N2O2/c1-18(2)28-27(29(34)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(35-19(3)4)15-26(23)33(28)17-20-8-6-5-7-9-20/h5-15,18-19H,16-17H2,1-4H3,(H,32,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103621
(US8563594, 171)Show SMILES Oc1ccc2n(Cc3ccccn3)c(C3CCCC3)c(C(=O)NCc3ccc(F)c(F)c3)c2c1 Show InChI InChI=1S/C27H25F2N3O2/c28-22-10-8-17(13-23(22)29)15-31-27(34)25-21-14-20(33)9-11-24(21)32(16-19-7-3-4-12-30-19)26(25)18-5-1-2-6-18/h3-4,7-14,18,33H,1-2,5-6,15-16H2,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM101037
(US8524917, 10 | US8563594, 168)Show SMILES CCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C28H28F2N2O2/c1-4-34-21-11-12-22-25(15-21)32(17-19-8-6-5-7-9-19)27(18(2)3)26(22)28(33)31-16-20-10-13-23(29)24(30)14-20/h5-15,18H,4,16-17H2,1-3H3,(H,31,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103616
(US8563594, 166)Show SMILES Oc1ccc2n(Cc3ccccc3)c(C3CCCC3)c(C(=O)NCc3ccc(F)c(F)c3)c2c1 Show InChI InChI=1S/C28H26F2N2O2/c29-23-12-10-19(14-24(23)30)16-31-28(34)26-22-15-21(33)11-13-25(22)32(17-18-6-2-1-3-7-18)27(26)20-8-4-5-9-20/h1-3,6-7,10-15,20,33H,4-5,8-9,16-17H2,(H,31,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103614
(US8563594, 164)Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H24F2N2O2/c1-16(2)25-24(26(32)29-14-18-8-10-21(27)22(28)12-18)20-13-19(31)9-11-23(20)30(25)15-17-6-4-3-5-7-17/h3-13,16,31H,14-15H2,1-2H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103617
(US8563594, 167)Show SMILES CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C26H24F2N2O/c1-17(2)25-24(26(31)29-15-19-12-13-21(27)22(28)14-19)20-10-6-7-11-23(20)30(25)16-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103604
(US8563594, 153)Show SMILES Cc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C22H25N2O3P/c1-17-8-10-18(11-9-17)21-13-12-20(16-23-14-5-15-28(25,26)27)24-22(21)19-6-3-2-4-7-19/h2-4,6-13,23H,5,14-16H2,1H3,(H2,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 231 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM38239
(US8563594, 154 | US8563594, Unnumbered 2)Show SMILES CCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C23H27N2O3P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-24-15-6-16-29(26,27)28)25-23(22)20-7-4-3-5-8-20/h3-5,7-14,24H,2,6,15-17H2,1H3,(H2,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM38239
(US8563594, 154 | US8563594, Unnumbered 2)Show SMILES CCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C23H27N2O3P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-24-15-6-16-29(26,27)28)25-23(22)20-7-4-3-5-8-20/h3-5,7-14,24H,2,6,15-17H2,1H3,(H2,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103611
(US8563594, 160)Show SMILES CCCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C24H29N2O3P/c1-2-7-19-10-12-20(13-11-19)23-15-14-22(18-25-16-6-17-30(27,28)29)26-24(23)21-8-4-3-5-9-21/h3-5,8-15,25H,2,6-7,16-18H2,1H3,(H2,27,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103608
(US8563594, 157)Show SMILES CCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccncc1 Show InChI InChI=1S/C22H26N3O3P/c1-2-17-4-6-18(7-5-17)21-9-8-20(16-24-12-3-15-29(26,27)28)25-22(21)19-10-13-23-14-11-19/h4-11,13-14,24H,2-3,12,15-16H2,1H3,(H2,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300554
(((2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103603
(US8563594, 152)Show SMILES OP(O)(=O)CCCNCc1ccc(-c2ccccc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C21H23N2O3P/c24-27(25,26)15-7-14-22-16-19-12-13-20(17-8-3-1-4-9-17)21(23-19)18-10-5-2-6-11-18/h1-6,8-13,22H,7,14-16H2,(H2,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103609
(US8563594, 158)Show SMILES CCc1ccc(cc1)-c1ccc(CNCCP(O)(O)=O)nc1-c1ccncc1 Show InChI InChI=1S/C21H24N3O3P/c1-2-16-3-5-17(6-4-16)20-8-7-19(15-23-13-14-28(25,26)27)24-21(20)18-9-11-22-12-10-18/h3-12,23H,2,13-15H2,1H3,(H2,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103606
(US8563594, 155)Show SMILES CCc1ccc(cc1)-c1ccc(CNCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C22H25N2O3P/c1-2-17-8-10-18(11-9-17)21-13-12-20(16-23-14-15-28(25,26)27)24-22(21)19-6-4-3-5-7-19/h3-13,23H,2,14-16H2,1H3,(H2,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103613
(US8563594, 162)Show SMILES Cc1ccc(cc1)-c1ccc(COCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C22H24NO4P/c1-17-8-10-18(11-9-17)21-13-12-20(16-27-14-5-15-28(24,25)26)23-22(21)19-6-3-2-4-7-19/h2-4,6-13H,5,14-16H2,1H3,(H2,24,25,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300554
(((2S,3R,4S,5S)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM103612
(US8563594, 161)Show SMILES CCc1ccc(cc1)-c1ccc(COCCCP(O)(O)=O)nc1-c1ccccc1 Show InChI InChI=1S/C23H26NO4P/c1-2-18-9-11-19(12-10-18)22-14-13-21(17-28-15-6-16-29(25,26)27)24-23(22)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-17H2,1H3,(H2,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan, Inc.
US Patent
| Assay Description
FLIPR assay using S1P3 receptor inhibitor. |
US Patent US8563594 (2013)
BindingDB Entry DOI: 10.7270/Q2765CZV |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300547
(2,3,9,10-Tetrahydroxy-5,6-dihydro-isoquino[3,2-a]i...)Show InChI InChI=1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8,19-21H,3-4H2/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300547
(2,3,9,10-Tetrahydroxy-5,6-dihydro-isoquino[3,2-a]i...)Show InChI InChI=1S/C17H13NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,5-8,19-21H,3-4H2/p+1 | 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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300551
(2,3,7,8-Tetrahydroxy-5-methyl-benzo[c]phenanthridi...)Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2ccc3cc(O)c(O)cc3c12 Show InChI InChI=1S/C18H13NO4/c1-19-8-13-10(4-5-14(20)18(13)23)11-3-2-9-6-15(21)16(22)7-12(9)17(11)19/h2-8,20-22H,1H3/p+1 | 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 | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300551
(2,3,7,8-Tetrahydroxy-5-methyl-benzo[c]phenanthridi...)Show SMILES Cn1cc2c(ccc(O)c2=[OH+])c2ccc3cc(O)c(O)cc3c12 Show InChI InChI=1S/C18H13NO4/c1-19-8-13-10(4-5-14(20)18(13)23)11-3-2-9-6-15(21)16(22)7-12(9)17(11)19/h2-8,20-22H,1H3/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300548
(3,4,10,11-Tetrahydroxy-8-methyl-isoquino[3,2-a]iso...)Show InChI InChI=1S/C18H13NO4/c1-9-13-8-17(22)16(21)7-10(13)6-14-11-2-3-15(20)18(23)12(11)4-5-19(9)14/h2-8H,1H3,(H3,20,21,22,23)/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM25525
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300545
(CHEMBL573174 | tetrahydroxycanadine hydrochloride)Show InChI InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300548
(3,4,10,11-Tetrahydroxy-8-methyl-isoquino[3,2-a]iso...)Show InChI InChI=1S/C18H13NO4/c1-9-13-8-17(22)16(21)7-10(13)6-14-11-2-3-15(20)18(23)12(11)4-5-19(9)14/h2-8H,1H3,(H3,20,21,22,23)/p+1 | 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 | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300552
(2,3-Dihydroxy-7,8-dimethoxy-5-methyl-benzo[c]phena...)Show SMILES COc1ccc2c(cn(C)c3c4cc(O)c(=[OH+])cc4ccc23)c1OC Show InChI InChI=1S/C20H17NO4/c1-21-10-15-12(6-7-18(24-2)20(15)25-3)13-5-4-11-8-16(22)17(23)9-14(11)19(13)21/h4-10,23H,1-3H3/p+1 | 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 | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300546
(6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinol...)Show InChI InChI=1S/C22H19NO2/c1-14-19-13-22(25-3)21(24-2)12-18(19)11-20(23-14)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,1-3H3 | 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 | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM25525
(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...)Show InChI InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300549
(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1 | PDB
MMDB
NCI pathway
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 | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300552
(2,3-Dihydroxy-7,8-dimethoxy-5-methyl-benzo[c]phena...)Show SMILES COc1ccc2c(cn(C)c3c4cc(O)c(=[OH+])cc4ccc23)c1OC Show InChI InChI=1S/C20H17NO4/c1-21-10-15-12(6-7-18(24-2)20(15)25-3)13-5-4-11-8-16(22)17(23)9-14(11)19(13)21/h4-10,23H,1-3H3/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300549
(2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydro-isoquino[...)Show InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300550
(3-(3,4-Dihydroxy-phenyl)-6,7-dimethoxy-1-methyl-is...)Show InChI InChI=1S/C18H17NO4/c1-10-13-9-18(23-3)17(22-2)8-12(13)6-14(19-10)11-4-5-15(20)16(21)7-11/h4-9,20-21H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM25524
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM25524
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300545
(CHEMBL573174 | tetrahydroxycanadine hydrochloride)Show InChI InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Cell division control protein 42 homolog
(Homo sapiens (Human)) | BDBM50300546
(6,7-Dimethoxy-1-methyl-3-naphthalen-2-yl-isoquinol...)Show InChI InChI=1S/C22H19NO2/c1-14-19-13-22(25-3)21(24-2)12-18(19)11-20(23-14)17-9-8-15-6-4-5-7-16(15)10-17/h4-13H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50300550
(3-(3,4-Dihydroxy-phenyl)-6,7-dimethoxy-1-methyl-is...)Show InChI InChI=1S/C18H17NO4/c1-10-13-9-18(23-3)17(22-2)8-12(13)6-14(19-10)11-4-5-15(20)16(21)7-11/h4-9,20-21H,1-3H3 | 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 | 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Exonhit Therapeutics
Curated by ChEMBL
| Assay Description
Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay |
Bioorg Med Chem Lett 19: 5594-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.037
BindingDB Entry DOI: 10.7270/Q27P8ZF4 |
More data for this
Ligand-Target Pair | |
Search and Browse
