BDBM50237762 CHEMBL4072993

SMILES: OC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1

InChI Key: InChIKey=TURZYRGEJPLUDI-BGBDWYERSA-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 = 50237762   

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))	BDBM50237762 (CHEMBL4072993) Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1 |r,wU:19.31,20.22,6.6,wD:11.10,3.2,(34.1,-31.43,;32.64,-30.93,;32.34,-29.42,;31.48,-31.94,;30.02,-31.45,;28.86,-32.46,;29.17,-33.97,;28.02,-34.98,;26.56,-34.49,;25.4,-35.51,;23.97,-34.95,;25.78,-37,;27.22,-37.55,;27.15,-39.08,;27.54,-40.57,;29.02,-40.96,;30.11,-39.88,;29.71,-38.4,;28.23,-37.99,;25.66,-39.49,;24.73,-38.23,;23.39,-36.71,;23.09,-35.19,;21.63,-34.7,;20.47,-35.71,;20.77,-37.22,;19.6,-38.23,;22.22,-37.72,;23.91,-38.71,;26.58,-40.74,;27.98,-41.9,;25.67,-42,;24.2,-41.53,;22.86,-42.3,;21.52,-41.53,;20.19,-42.3,;21.52,-39.99,;22.85,-39.22,;24.19,-39.98,;30.63,-34.46,;31.78,-33.45,)| Show InChI InChI=1S/C31H34Cl2FN3O4/c32-19-11-12-21-23(15-19)36-29(41)31(21)24(20-5-4-6-22(33)25(20)34)26(37-30(31)13-2-1-3-14-30)27(38)35-16-17-7-9-18(10-8-17)28(39)40/h4-6,11-12,15,17-18,24,26,37H,1-3,7-10,13-14,16H2,(H,35,38)(H,36,41)(H,39,40)/t17-,18-,24-,26+,31+/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	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50237762 (CHEMBL4072993) Show SMILES OC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1 |r,wU:19.31,20.22,6.6,wD:11.10,3.2,(34.1,-31.43,;32.64,-30.93,;32.34,-29.42,;31.48,-31.94,;30.02,-31.45,;28.86,-32.46,;29.17,-33.97,;28.02,-34.98,;26.56,-34.49,;25.4,-35.51,;23.97,-34.95,;25.78,-37,;27.22,-37.55,;27.15,-39.08,;27.54,-40.57,;29.02,-40.96,;30.11,-39.88,;29.71,-38.4,;28.23,-37.99,;25.66,-39.49,;24.73,-38.23,;23.39,-36.71,;23.09,-35.19,;21.63,-34.7,;20.47,-35.71,;20.77,-37.22,;19.6,-38.23,;22.22,-37.72,;23.91,-38.71,;26.58,-40.74,;27.98,-41.9,;25.67,-42,;24.2,-41.53,;22.86,-42.3,;21.52,-41.53,;20.19,-42.3,;21.52,-39.99,;22.85,-39.22,;24.19,-39.98,;30.63,-34.46,;31.78,-33.45,)| Show InChI InChI=1S/C31H34Cl2FN3O4/c32-19-11-12-21-23(15-19)36-29(41)31(21)24(20-5-4-6-22(33)25(20)34)26(37-30(31)13-2-1-3-14-30)27(38)35-16-17-7-9-18(10-8-17)28(39)40/h4-6,11-12,15,17-18,24,26,37H,1-3,7-10,13-14,16H2,(H,35,38)(H,36,41)(H,39,40)/t17-,18-,24-,26+,31+/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	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence pol...				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair