Compile Data Set for Download or QSAR

Found 122413 hits with Last Name = 'pubchem' and Initial = 'pc'   

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
Muscarinic acetylcholine receptor M1 (RAT)	BDBM43819 (4-[2-(2-thenoylamino)ethylamino]piperidine-1-carbo...) Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccs1 Show InChI InChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-5-12(6-10-18)16-7-8-17-14(19)13-4-3-11-22-13/h3-4,11-12,16H,2,5-10H2,1H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	8.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FJ2F7F
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54607 (4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12| Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FX77VQ
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54623 (1-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-met...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11| Show InChI InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-15(5-10-18)21-13-20(14-2-7-17(25)8-3-14)26-27(21)22-12-16(23)6-11-19(22)24/h2-12,21H,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25D8Q8M
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54661 (4-[3-(4-methoxyphenyl)-5-methyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12| Show InChI InChI=1S/C17H19N3O3S/c1-12-11-17(13-3-7-15(23-2)8-4-13)20(19-12)14-5-9-16(10-6-14)24(18,21)22/h3-10,17H,11H2,1-2H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26D5RFF
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54606 (4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XW4H7T
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54575 (3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br Show InChI InChI=1S/C23H25BrN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DZ06RB
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54578 (1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DZ06RB
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 19 (Homo sapiens (Human))	BDBM33097 (3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...) Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26T0K2P
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54606 (4-[3-(4-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]be...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12| Show InChI InChI=1S/C21H18ClN3O2S/c22-17-8-6-15(7-9-17)20-14-21(16-4-2-1-3-5-16)25(24-20)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FX77VQ
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54619 (3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FX77VQ
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54674 (3-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1 |c:11| Show InChI InChI=1S/C22H21N3O3S/c1-28-19-12-10-17(11-13-19)22-15-21(16-6-3-2-4-7-16)24-25(22)18-8-5-9-20(14-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2B856J1
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54619 (3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1-pheny...) Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13| Show InChI InChI=1S/C23H21ClN2O2/c1-27-22-13-10-17(14-23(22)28-2)21-15-20(16-8-11-18(24)12-9-16)25-26(21)19-6-4-3-5-7-19/h3-14,21H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26D5RFF
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM50218889 (7-chloroindirubin | CHEMBL243777 | cid_11847137) Show SMILES Clc1cccc2C(C(=O)Nc12)=C1Nc2ccccc2C1=O |w:11.13| Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)14-15(20)8-4-1-2-7-11(8)18-14/h1-7,18H,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TB15BF
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54642 (4-[3-(3-chlorophenyl)-5-(4-methoxyphenyl)-2-pyrazo...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11| Show InChI InChI=1S/C22H20ClN3O3S/c1-29-19-9-5-15(6-10-19)22-14-21(16-3-2-4-17(23)13-16)25-26(22)18-7-11-20(12-8-18)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2GT5KM7
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54607 (4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimet...) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12| Show InChI InChI=1S/C23H23N3/c1-25(2)20-15-13-19(14-16-20)23-17-22(18-9-5-3-6-10-18)24-26(23)21-11-7-4-8-12-21/h3-16,23H,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2B856J1
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54590 (1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1 |c:11| Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2GT5KM7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM43822 (4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...) Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	14.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FJ2F7F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM43820 (4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...) Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	17.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FJ2F7F
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM46590 (4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...) Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7| Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QR4VJR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM46590 (4-[2-[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1...) Show SMILES NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7| Show InChI InChI=1S/C13H12N4O7S/c14-25(23,24)8-2-3-9(10(5-8)17(21)22)16-15-6-7-1-4-11(18)13(20)12(7)19/h1-5,18-20H,6H2,(H2,14,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C4V
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM38361 (2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...) Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C4V
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM32274 (2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...) Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26| Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QR4VJR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM38361 (2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...) Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QR4VJR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM32274 (2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...) Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26| Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C4V
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54583 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)on1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)24(16-18)27-12-14-28(15-13-27)25(29)11-10-22-17-23(26-31-22)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29885F3
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54553 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21V5CCX
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54709 (1-[4-(4-bromophenyl)-1-piperazinyl]-3-[3-(4-methox...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Br)cc2)n1 Show InChI InChI=1S/C22H23BrN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2JS9NV0
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54577 (1-[4-(4-chlorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H23ClN4O3/c1-29-19-8-2-16(3-9-19)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)18-6-4-17(23)5-7-18/h2-9H,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20000HB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM43821 (4-(2-benzamidoethylamino)-1-piperidinecarboxylic a...) Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1 Show InChI InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	21.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FJ2F7F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48043 (3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...) Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NV9GNV
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM50022271 (2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...) Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23N21VG
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 19 (Homo sapiens (Human))	BDBM32274 (2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...) Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26| Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26T0K2P
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54605 (1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...) Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2GT5KM7
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM46608 ((4E)-5-methyl-4-[(3-nitroanilino)methylene]-2-phen...) Show SMILES Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H14N4O2S/c1-12-16(11-18-13-6-5-9-15(10-13)21(22)23)17(24)20(19-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,18,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QR4VJR
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54595 (3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,...) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1 |t:9| Show InChI InChI=1S/C22H19ClN2O/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-18(23)12-8-17)25(24-21)19-5-3-2-4-6-19/h2-14,22H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2GT5KM7
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54638 (4-[3-(2-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazol...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11| Show InChI InChI=1S/C22H20BrN3O3S/c1-29-17-10-6-15(7-11-17)22-14-21(19-4-2-3-5-20(19)23)25-26(22)16-8-12-18(13-9-16)30(24,27)28/h2-13,22H,14H2,1H3,(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26D5RFF
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54553 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(4-f...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O2/c1-16-3-4-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-7-19(24)8-6-18/h3-8,15H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29885F3
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54578 (1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29885F3
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 16 (Homo sapiens (Human))	BDBM47719 ((4-chlorodithiazol-5-ylidene)-(4-chloro-2-methyl-p...) Show SMILES Cc1cc(Cl)ccc1\N=c1\ssnc1Cl Show InChI InChI=1S/C9H6Cl2N2S2/c1-5-4-6(10)2-3-7(5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QR4VJR
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM48044 (3-amino-4,6-dimethyl-N-piperonyl-thieno[2,3-b]pyri...) Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	46.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NV9GNV
					More data for this Ligand-Target Pair
Ras-related protein Rab-7a (Canis lupus familiaris)	BDBM54567 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-[3-(...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H25F3N4O2/c1-16-6-7-17(2)20(14-16)30-10-12-31(13-11-30)22(32)9-8-21-28-23(29-33-21)18-4-3-5-19(15-18)24(25,26)27/h3-7,14-15H,8-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29885F3
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54548 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1 Show InChI InChI=1S/C23H26N4O3/c1-17-3-7-19(8-4-17)26-13-15-27(16-14-26)22(28)12-11-21-24-23(25-30-21)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21V5CCX
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54578 (1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[3-(4-metho...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1 Show InChI InChI=1S/C22H23FN4O3/c1-29-17-8-6-16(7-9-17)22-24-20(30-25-22)10-11-21(28)27-14-12-26(13-15-27)19-5-3-2-4-18(19)23/h2-9H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21V5CCX
					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM54605 (1-[4-(difluoromethylsulfonyl)phenyl]-3,5-diphenyl-...) Show SMILES FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14| Show InChI InChI=1S/C22H18F2N2O2S/c23-22(24)29(27,28)19-13-11-18(12-14-19)26-21(17-9-5-2-6-10-17)15-20(25-26)16-7-3-1-4-8-16/h1-14,21-22H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KS6Q0S
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54570 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H26N4O4/c1-29-19-7-3-17(4-8-19)23-24-21(31-25-23)11-12-22(28)27-15-13-26(14-16-27)18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2JS9NV0
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 19 (Homo sapiens (Human))	BDBM47764 ((4E)-5-methyl-4-[[3-[[(Z)-(3-methyl-1-phenyl-5-sul...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=NCCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=S |w:14.16,18.19| Show InChI InChI=1S/C25H26N6S2/c1-18-22(24(32)30(28-18)20-10-5-3-6-11-20)16-26-14-9-15-27-17-23-19(2)29-31(25(23)33)21-12-7-4-8-13-21/h3-8,10-13,16-17,28-29H,9,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26T0K2P
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54549 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(3-phen...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(16-17)26-12-14-27(15-13-26)22(28)11-10-21-24-23(25-29-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21V5CCX
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54590 (1-(3-fluorophenyl)-3,5-bis(4-methoxyphenyl)-2-pyra...) Show SMILES COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1 |c:11| Show InChI InChI=1S/C23H21FN2O2/c1-27-20-10-6-16(7-11-20)22-15-23(17-8-12-21(28-2)13-9-17)26(25-22)19-5-3-4-18(24)14-19/h3-14,23H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JC6
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM43363 (2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin...) Show SMILES ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13| Show InChI InChI=1S/C19H21Cl2N3O2S/c20-14-13(12-11-22-19(27-12)24-9-5-2-6-10-24)17(25)15(21)16(18(14)26)23-7-3-1-4-8-23/h11H,1-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2G73C4V
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A (Canis lupus familiaris)	BDBM54574 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[3-(2-f...) Show SMILES Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1F Show InChI InChI=1S/C23H25FN4O2/c1-16-7-8-17(2)20(15-16)27-11-13-28(14-12-27)22(29)10-9-21-25-23(26-30-21)18-5-3-4-6-19(18)24/h3-8,15H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21V5CCX
					More data for this Ligand-Target Pair

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