BDBM50544057 CHEMBL4637563

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

InChI Key: InChIKey=HMKCOKHJISOEPL-NSVAZKTRSA-N

Data: 1 KI  1 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 = 50544057   

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))	BDBM50544057 (CHEMBL4637563) Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@]1(CN(C)c1ccccc1)CC[C@@H]2NS(N)(=O)=O |r,t:9| Show InChI InChI=1S/C28H39N3O2S/c1-3-4-5-8-15-23-20-25-26(30-34(29,32)33)18-19-28(25,27(23)22-13-9-6-10-14-22)21-31(2)24-16-11-7-12-17-24/h6-7,9-14,16-17,25-26,30H,3-5,8,15,18-21H2,1-2H3,(H2,29,32,33)/t25-,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence p...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver Receptor Homolog 1 (Homo sapiens (Human))	BDBM50544057 (CHEMBL4637563) Show SMILES [H][C@@]12CC(CCCCCC)=C(c3ccccc3)[C@]1(CN(C)c1ccccc1)CC[C@@H]2NS(N)(=O)=O |r,t:9| Show InChI InChI=1S/C28H39N3O2S/c1-3-4-5-8-15-23-20-25-26(30-34(29,32)33)18-19-28(25,27(23)22-13-9-6-10-14-22)21-31(2)24-16-11-7-12-17-24/h6-7,9-14,16-17,25-26,30H,3-5,8,15,18-21H2,1-2H3,(H2,29,32,33)/t25-,26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Agonist activity at LRH1 (unknown origin) by luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)