Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 4305   

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
Regulator of G-protein signaling 7 (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 GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	70	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM62209 (UNM-0000305796 | cid_18559023) Show SMILES Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NCC1CCCO1 Show InChI InChI=1S/C25H23N3O4S/c26-21-20-19(18-6-3-11-32-18)17-8-7-14(12-15-4-1-9-30-15)22(17)28-25(20)33-23(21)24(29)27-13-16-5-2-10-31-16/h1,3-4,6,9,11-12,16H,2,5,7-8,10,13,26H2,(H,27,29)/b14-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	120	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (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 GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	120	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	130	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM34702 ((4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3...) Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0| Show InChI InChI=1S/C12H13N3O3S/c1-7-6-19-12(13-2)15(7)14-5-8-3-4-9(16)11(18)10(8)17/h3-6,16-18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	210	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM47798 (4-chloranyl-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl...) Show SMILES CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1 Show InChI InChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	230	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM47815 (2-(4-Methoxy-phenyl)-[1,4]benzoquinone | 2-(4-meth...) Show SMILES COc1ccc(cc1)C1=CC(=O)C=CC1=O |c:13,t:9| Show InChI InChI=1S/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	300	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM33145 (3-[[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-...) Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17| Show InChI InChI=1S/C18H21N3O6S/c1-3-21(4-2)28(26,27)14-7-5-6-12(10-14)18(25)20-19-11-13-8-9-15(22)17(24)16(13)23/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	320	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM34972 (MLS000759648 | N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyc...) Show SMILES Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O |w:6.6| Show InChI InChI=1S/C16H18N4O5S/c21-12-2-1-10(14(23)15(12)24)8-17-19-13(22)7-11-9-26-16(18-11)20-3-5-25-6-4-20/h1-2,8-9,21,23-24H,3-7H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	360	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM33090 ((4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)a...) Show SMILES CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1| Show InChI InChI=1S/C13H15N3O3S/c1-3-14-13-16(8(2)7-20-13)15-6-9-4-5-10(17)12(19)11(9)18/h4-7,17-19H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	380	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM47770 (4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene...) Show SMILES [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(cc2)S([#7])(=O)=O)-[#6](=O)-[#8]1 Show InChI InChI=1S/C17H15NO7S/c1-17(2)24-15(19)13(16(20)25-17)9-11-5-8-14(23-11)10-3-6-12(7-4-10)26(18,21)22/h3-9H,1-2H3,(H2,18,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	1.60E+3	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.87E+3	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/Q20863RR
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 7 (Homo sapiens (Human))	BDBM47734 (MLS000553854 | N-[(4-methylphenyl)-(5-nitro-8-oxid...) Show SMILES CCC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O Show InChI InChI=1S/C20H19N3O4/c1-3-17(24)22-18(13-8-6-12(2)7-9-13)15-11-16(23(26)27)14-5-4-10-21-19(14)20(15)25/h4-11,18,25H,3H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	3.75E+3	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/Q20863RR
					More data for this Ligand-Target Pair