BDBM215409 US9296736, 397::US9593129, Example 397

SMILES: CC[C@@H](CS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=KJBVQUFEAVNSSV-OCBXDECUSA-N

Data: 2 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 2 hits for monomerid = 215409   

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
E3 ubiquitin-protein ligase Mdm2 (aa 1-188) (Homo sapiens (Human))	BDBM215409 (US9296736, 397 | US9593129, Example 397) Show SMILES CC[C@@H](CS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H30Cl2FNO5S/c1-3-21(15-37(35,36)22-8-9-22)31-25(16-4-6-18(28)7-5-16)23(17-10-19(29)12-20(30)11-17)13-27(2,26(31)34)14-24(32)33/h4-7,10-12,21-23,25H,3,8-9,13-15H2,1-2H3,(H,32,33)/t21-,23+,25+,27+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US9593129 (2017) BindingDB Entry DOI: 10.7270/Q20P1232
					More data for this Ligand-Target Pair
MDM2 and p53 (Homo sapiens (Human))	BDBM215409 (US9296736, 397 | US9593129, Example 397) Show SMILES CC[C@@H](CS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H30Cl2FNO5S/c1-3-21(15-37(35,36)22-8-9-22)31-25(16-4-6-18(28)7-5-16)23(17-10-19(29)12-20(30)11-17)13-27(2,26(31)34)14-24(32)33/h4-7,10-12,21-23,25H,3,8-9,13-15H2,1-2H3,(H,32,33)/t21-,23+,25+,27+/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Amgen INC. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US9296736 (2016) BindingDB Entry DOI: 10.7270/Q29022M2
					More data for this Ligand-Target Pair