Compile Data Set for Download or QSAR

Found 24 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 SMILES Nc1ncc(NCc2ccccc2)c(N)n1 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
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
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 SMILES Oc1cc2CCn3cc4c(ccc(O)c4=[OH+])cc3-c2cc1O 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 SMILES Nc1ncc(NCc2ccc3ccccc3c2)c(N)n1 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 SMILES Cc1cc(C)cc(NC(=N)Nc2ccccc2C(F)(F)F)c1 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 SMILES Oc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1O 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 SMILES Cc1c2cc(O)c(O)cc2cc2c3ccc(O)c(O)c3cc[n+]12 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 SMILES C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 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 SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc2ccccc2c1 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 SMILES COc1ccc2cc3-c4cc(O)c(O)cc4CC[n+]3cc2c1OC 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 SMILES COc1cc2cc(nc(C)c2cc1OC)-c1ccc(O)c(O)c1 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