BDBM50436687 CHEMBL2398474

SMILES: CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1

InChI Key: InChIKey=NLQIFYWAHULSET-KYVJPXILSA-N

Data: 1 KI  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 2 hits for monomerid = 50436687   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM50436687 (CHEMBL2398474) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1 |r,wU:17.19,8.8,31.34,5.4,33.37,wD:7.31,(13.04,-18.98,;11.84,-18.02,;12.07,-16.5,;13.31,-17.62,;10.4,-18.58,;9.2,-17.61,;9.28,-16.08,;7.83,-15.53,;6.87,-16.73,;5.53,-15.96,;4.2,-16.73,;2.86,-15.97,;2.85,-14.41,;4.19,-13.64,;4.19,-12.1,;5.53,-14.41,;5.52,-12.86,;7.72,-18.02,;8.63,-19.28,;10.17,-19.28,;7.71,-20.53,;6.24,-20.05,;4.91,-20.82,;3.57,-20.05,;2.24,-20.82,;3.57,-18.51,;4.9,-17.74,;6.24,-18.5,;7.84,-13.99,;6.51,-13.22,;9.18,-13.22,;10.51,-14,;10.89,-15.5,;12.38,-15.1,;13.71,-15.88,;11.99,-13.62,)| Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15+,20-,21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50436687 (CHEMBL2398474) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1 |r,wU:17.19,8.8,31.34,5.4,33.37,wD:7.31,(13.04,-18.98,;11.84,-18.02,;12.07,-16.5,;13.31,-17.62,;10.4,-18.58,;9.2,-17.61,;9.28,-16.08,;7.83,-15.53,;6.87,-16.73,;5.53,-15.96,;4.2,-16.73,;2.86,-15.97,;2.85,-14.41,;4.19,-13.64,;4.19,-12.1,;5.53,-14.41,;5.52,-12.86,;7.72,-18.02,;8.63,-19.28,;10.17,-19.28,;7.71,-20.53,;6.24,-20.05,;4.91,-20.82,;3.57,-20.05,;2.24,-20.82,;3.57,-18.51,;4.9,-17.74,;6.24,-18.5,;7.84,-13.99,;6.51,-13.22,;9.18,-13.22,;10.51,-14,;10.89,-15.5,;12.38,-15.1,;13.71,-15.88,;11.99,-13.62,)| Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15+,20-,21-,23+,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 to 30 mins by fluorescence pol...				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair