BDBM50505376 CHEMBL4461328

SMILES: [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(N)(=O)=O)C(=C)c1ccccc1

InChI Key: InChIKey=TUITYPXKFZGOFR-NSVAZKTRSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50505376   

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
Liver Receptor Homolog 1 (Homo sapiens (Human))	BDBM50505376 (CHEMBL4461328) Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9| Show InChI InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase ...				J Med Chem 62: 11022-11034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00753
					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver Receptor Homolog 1 (Homo sapiens (Human))	BDBM50505376 (CHEMBL4461328) Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@@]1(CC[C@@H]2OS(N)(=O)=O)C(=C)c1ccccc1 |r,t:9| Show InChI InChI=1S/C28H35NO3S/c1-3-4-5-8-17-24-20-25-26(32-33(29,30)31)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H2,29,30,31)/t25-,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Emory University School of Medicine Curated by ChEMBL					Assay Description Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay				J Med Chem 62: 11022-11034 (2019) Article DOI: 10.1021/acs.jmedchem.9b00753
					More data for this Ligand-Target Pair				3D Structure (crystal)