BDBM47828 Chebulinic acid::MLS000697665::SMR000445569::cid_16745534

SMILES: [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=YGVHOSGNOYKRIH-AAYPSMFASA-N

Data: 1 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 47828   

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
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	820	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 (2009) BindingDB Entry DOI: 10.7270/Q2TM78JD
					More data for this Ligand-Target Pair
RGS7 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	600	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 (2009) BindingDB Entry DOI: 10.7270/Q2PV6HS7
					More data for this Ligand-Target Pair
regulator of G-protein signaling 4 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.03E+3	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 (2009) BindingDB Entry DOI: 10.7270/Q2F76B0G
					More data for this Ligand-Target Pair
regulator of G-protein signalling 16 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.67E+3	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 (2009) BindingDB Entry DOI: 10.7270/Q2FB51BW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
G protein signalling regulator 19 (Homo sapiens (Human))	BDBM47828 (Chebulinic acid | MLS000697665 | SMR000445569 | ci...) Show SMILES [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22?,24-,30-,31+,33-,34-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.73E+3	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 (2009) BindingDB Entry DOI: 10.7270/Q2K35S27
					More data for this Ligand-Target Pair