BDBM50008763 CHEMBL3236636

SMILES: CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=VZZITKBMNYFVPR-RHWDBWQKSA-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 = 50008763   

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))	BDBM50008763 (CHEMBL3236636) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...				J Med Chem 57: 2963-88 (2014) Article DOI: 10.1021/jm401911v BindingDB Entry DOI: 10.7270/Q2862J0J
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50008763 (CHEMBL3236636) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ...				J Med Chem 57: 2963-88 (2014) Article DOI: 10.1021/jm401911v BindingDB Entry DOI: 10.7270/Q2862J0J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50008763 (CHEMBL3236636) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)20-28(21-8-9-21)38-30(22-10-12-25(35)13-11-22)27(23-6-5-7-26(36)16-23)17-34(4,32(38)42)18-29(39)37-15-14-24(19-37)31(40)41/h5-7,10-13,16,21,24,27-28,30H,8-9,14-15,17-20H2,1-4H3,(H,40,41)/t24-,27+,28+,30+,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam as substrate				J Med Chem 57: 2963-88 (2014) Article DOI: 10.1021/jm401911v BindingDB Entry DOI: 10.7270/Q2862J0J
					More data for this Ligand-Target Pair