BDBM50190159 CHEMBL3827356

SMILES: [H][C@@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(Cl)c(F)c3)[C@]1([H])[C@H]2C(O)=O

InChI Key: InChIKey=ATIPCJDOSKJVMW-NAXKQYLGSA-N

Data: 1 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 1 hit for monomerid = 50190159   

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
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50190159 (CHEMBL3827356) Show SMILES [H][C@@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(Cl)c(F)c3)[C@]1([H])[C@H]2C(O)=O |r| Show InChI InChI=1S/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14-,16-,21-,22-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay				Bioorg Med Chem Lett 26: 4077-80 (2016) BindingDB Entry DOI: 10.7270/Q29S1SZS
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