Found 26 hits of ic50 for UniProtKB: P63000 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50391237
(CHEMBL5290216)Show InChI InChI=1S/C11H13N5/c12-10-9(7-15-11(13)16-10)14-6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H4,12,13,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | |
Cell division control protein 42 homolog/Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50234661
(CHEBI:76227 | CHEMBL1619630)Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kagoshima University
Curated by ChEMBL
| Assay Description Inhibition of RAC1/CDC42 in human ovarian cancer cells |
Eur J Med Chem 126: 270-276 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.038 BindingDB Entry DOI: 10.7270/Q2T72KP7 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50007190
(CHEMBL3237589)Show SMILES CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 Show InChI InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of Rac1 in human MDA-MB-435 cells after 24 hrs by G-LISA assay |
J Med Chem 57: 2953-62 (2014)
Article DOI: 10.1021/jm401924s BindingDB Entry DOI: 10.7270/Q2D2204K |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50007190
(CHEMBL3237589)Show SMILES CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 Show InChI InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Puerto Rico
Curated by ChEMBL
| Assay Description Inhibition of Vav2 binding to Rac1 G15A mutant in human MDA-MB-231 cells after 1 hr by pull down assay |
Bioorg Med Chem 26: 884-890 (2018)
Article DOI: 10.1016/j.bmc.2018.01.003 BindingDB Entry DOI: 10.7270/Q2319ZG5 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50007190
(CHEMBL3237589)Show SMILES CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 Show InChI InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Puerto Rico
Curated by ChEMBL
| Assay Description Inhibition of Rac1 in human MDA-MB-435 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay |
Bioorg Med Chem 26: 884-890 (2018)
Article DOI: 10.1016/j.bmc.2018.01.003 BindingDB Entry DOI: 10.7270/Q2319ZG5 |
More data for this Ligand-Target Pair | |
Cell division control protein 42 homolog/Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM85511
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kagoshima University
Curated by ChEMBL
| Assay Description Inhibition of RAC1/CDC42 in human ovarian cancer cells |
Eur J Med Chem 126: 270-276 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.038 BindingDB Entry DOI: 10.7270/Q2T72KP7 |
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 | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50007190
(CHEMBL3237589)Show SMILES CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12 Show InChI InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Puerto Rico
Curated by ChEMBL
| Assay Description Inhibition of Rac1 in human MDA-MB-231 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay |
Bioorg Med Chem 26: 884-890 (2018)
Article DOI: 10.1016/j.bmc.2018.01.003 BindingDB Entry DOI: 10.7270/Q2319ZG5 |
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 | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50391235
(CHEMBL3216441)Show InChI InChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,18H,8H2,(H4,16,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50293841
(3-((3,5-dimethylisoxazol-4-yl)methoxy)-N-(4-methyl...)Show SMILES Cc1noc(C)c1COc1cccc(c1)C(=O)Nc1ccc(C)c(c1)S(C)(=O)=O Show InChI InChI=1S/C21H22N2O5S/c1-13-8-9-17(11-20(13)29(4,25)26)22-21(24)16-6-5-7-18(10-16)27-12-19-14(2)23-28-15(19)3/h5-11H,12H2,1-4H3,(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA |
J Med Chem 52: 4087-90 (2009)
Article DOI: 10.1021/jm8015987 BindingDB Entry DOI: 10.7270/Q23T9H81 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50468262
(CHEMBL4277903)Show InChI InChI=1S/C16H16F3N3/c1-10-7-11(2)9-12(8-10)21-15(20)22-14-6-4-3-5-13(14)16(17,18)19/h3-9H,1-2H3,(H3,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02221 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50293840
(CHEMBL562095 | N-(4-methoxy-3-(piperidin-1-ylsulfo...)Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA |
J Med Chem 52: 4087-90 (2009)
Article DOI: 10.1021/jm8015987 BindingDB Entry DOI: 10.7270/Q23T9H81 |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50293842
(1-(4-morpholinophenylamino)-1-oxopropan-2-yl 1-hyd...)Show SMILES CC(OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C24H24N2O5/c1-16(31-24(29)21-11-6-17-4-2-3-5-20(17)22(21)27)23(28)25-18-7-9-19(10-8-18)26-12-14-30-15-13-26/h2-11,16,27H,12-15H2,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA |
J Med Chem 52: 4087-90 (2009)
Article DOI: 10.1021/jm8015987 BindingDB Entry DOI: 10.7270/Q23T9H81 |
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)) | BDBM50293843
(1,8-diamino-6-methoxy-3-(4-(2-methoxyphenyl)pipera...)Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C21H23N7O2/c1-29-16-6-4-3-5-15(16)27-7-9-28(10-8-27)21-14(12-22)13-11-17(30-2)25-19(23)18(13)20(24)26-21/h3-6,11H,7-10H2,1-2H3,(H2,23,25)(H2,24,26) | 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 | 4.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA |
J Med Chem 52: 4087-90 (2009)
Article DOI: 10.1021/jm8015987 BindingDB Entry DOI: 10.7270/Q23T9H81 |
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)) | BDBM50293839
(2-(4-fluoro-3-nitrophenylamino)-N-(4-morpholinophe...)Show SMILES [O-][N+](=O)c1cc(NCC(=O)Nc2ccc(cc2)N2CCOCC2)ccc1F Show InChI InChI=1S/C18H19FN4O4/c19-16-6-3-14(11-17(16)23(25)26)20-12-18(24)21-13-1-4-15(5-2-13)22-7-9-27-10-8-22/h1-6,11,20H,7-10,12H2,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA |
J Med Chem 52: 4087-90 (2009)
Article DOI: 10.1021/jm8015987 BindingDB Entry DOI: 10.7270/Q23T9H81 |
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)) | 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)) | 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 | |
Ras-related C3 botulinum toxin substrate 1
(Homo sapiens (Human)) | BDBM50007189
(CHEMBL3237582)Show SMILES CC(CCCN(C)C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 Show InChI InChI=1S/C22H31N7/c1-14(7-6-10-29(4)5)25-22-26-16(3)12-21(28-22)27-17-8-9-20-18(13-17)19(23)11-15(2)24-20/h8-9,11-14H,6-7,10H2,1-5H3,(H2,23,24)(H2,25,26,27,28) | 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 | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano
Curated by ChEMBL
| Assay Description Inhibition of Rac1 in human MDA-MB-435 cells after 24 hrs by G-LISA assay |
J Med Chem 57: 2953-62 (2014)
Article DOI: 10.1021/jm401924s BindingDB Entry DOI: 10.7270/Q2D2204K |
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 | |
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 | |