BDBM28142 methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7-chloro-1H,2H,3H,4H-cyclopenta[b]indol-2-yl]-2-fluoroacetate::tetrahydro-cyclopenta[b]indole, (+/-)22

SMILES: [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1

InChI Key: InChIKey=HTTQXFNNULAJHM-GIPWTMENSA-N

Data: 2 IC50  2 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 2 hits for monomerid = 28142   

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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	150	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM28142 (methyl (2S)-2-[(3-bromobenzene)sulfonyl]-2-[(2R)-7...) Show SMILES [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C20H16BrClFNO4S/c1-28-19(25)20(23,29(26,27)14-4-2-3-12(21)9-14)11-7-15-16-10-13(22)5-6-17(16)24-18(15)8-11/h2-6,9-11,24H,7-8H2,1H3/t11-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	850	n/a	n/a	7.4	22
F. Hoffmann-La Roche Ltd					Assay Description LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radiol...				Bioorg Med Chem Lett 19: 1654-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.109 BindingDB Entry DOI: 10.7270/Q2BK19PN
					More data for this Ligand-Target Pair