BDBM89389 MLS001214678::SMR000543667::cid_16405253

SMILES: [H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3

InChI Key: InChIKey=UKEGJFCNVSBHRO-JCOIWJHGSA-N

Data: 4 IC50

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 4 hits for monomerid = 89389   

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
Zinc finger protein GLI1 (Mus musculus)	BDBM89389 (MLS001214678 | SMR000543667 | cid_16405253) Show SMILES [H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3 Show InChI InChI=1S/C29H46N2O10/c1-16(2)15-21(25(35)36)31-23(33)7-6-14-30-22(32)10-11-24(34)37-26-18(4)20-9-8-17(3)19-12-13-28(5)39-27(38-26)29(19,20)41-40-28/h16-21,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t17-,18?,19+,20?,21?,26?,27+,28?,29?/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	619	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2862F26
					More data for this Ligand-Target Pair
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM89389 (MLS001214678 | SMR000543667 | cid_16405253) Show SMILES [H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3 Show InChI InChI=1S/C29H46N2O10/c1-16(2)15-21(25(35)36)31-23(33)7-6-14-30-22(32)10-11-24(34)37-26-18(4)20-9-8-17(3)19-12-13-28(5)39-27(38-26)29(19,20)41-40-28/h16-21,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t17-,18?,19+,20?,21?,26?,27+,28?,29?/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT
					More data for this Ligand-Target Pair
COUP transcription factor 2 isoform a (Homo sapiens (Human))	BDBM89389 (MLS001214678 | SMR000543667 | cid_16405253) Show SMILES [H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3 Show InChI InChI=1S/C29H46N2O10/c1-16(2)15-21(25(35)36)31-23(33)7-6-14-30-22(32)10-11-24(34)37-26-18(4)20-9-8-17(3)19-12-13-28(5)39-27(38-26)29(19,20)41-40-28/h16-21,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t17-,18?,19+,20?,21?,26?,27+,28?,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S
					More data for this Ligand-Target Pair
Protein Wnt-3a (Mus musculus)	BDBM89389 (MLS001214678 | SMR000543667 | cid_16405253) Show SMILES [H][C@@]12CCC3(C)OOC11C(CC[C@H]2C)C(C)C(OC(=O)CCC(=O)NCCCC(=O)NC(CC(C)C)C(O)=O)O[C@@]1([H])O3 Show InChI InChI=1S/C29H46N2O10/c1-16(2)15-21(25(35)36)31-23(33)7-6-14-30-22(32)10-11-24(34)37-26-18(4)20-9-8-17(3)19-12-13-28(5)39-27(38-26)29(19,20)41-40-28/h16-21,26-27H,6-15H2,1-5H3,(H,30,32)(H,31,33)(H,35,36)/t17-,18?,19+,20?,21?,26?,27+,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X
					More data for this Ligand-Target Pair