BDBM50285068 (S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluoro-biphenyl-4-yl)-1-methyl-propylcarbamoyl]-methyl}-succinic acid::CHEMBL61985

SMILES: C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1

InChI Key: InChIKey=NBRLADMQSZWKGO-XUEUYAKLSA-N

Data: 3 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 3 hits for monomerid = 50285068   

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
Squalene synthetase (Homo sapiens (Human))	BDBM50285068 ((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...) Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HepG2 Squalene Synthase (SQS)				Bioorg Med Chem Lett 5: 1989-1994 (1995) Article DOI: 10.1016/0960-894X(95)00339-U BindingDB Entry DOI: 10.7270/Q2B56K6F
					More data for this Ligand-Target Pair
Squalene synthetase (Homo sapiens (Human))	BDBM50285068 ((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...) Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HepG2 Squalene Synthase (SQS)				Bioorg Med Chem Lett 5: 1989-1994 (1995) Article DOI: 10.1016/0960-894X(95)00339-U BindingDB Entry DOI: 10.7270/Q2B56K6F
					More data for this Ligand-Target Pair
Squalene synthetase (Homo sapiens (Human))	BDBM50285068 ((S)-2-{[(1S,2S)-3-(3,4-Dichloro-phenyl)-2-(2-fluor...) Show SMILES C[C@H](NC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene synthase (SQS) obtained from HepG2 cells				Bioorg Med Chem Lett 6: 463-466 (1996) Article DOI: 10.1016/0960-894X(96)00033-9 BindingDB Entry DOI: 10.7270/Q2MG7PG7
					More data for this Ligand-Target Pair