BDBM50237734 CHEMBL4098834

SMILES: CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21

InChI Key: InChIKey=QFJUSFSAYXYFDM-IBJHQLCKSA-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 = 50237734   

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))	BDBM50237734 (CHEMBL4098834) Show SMILES CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C33H37Cl2FN4O5S/c1-46(44,45)40-28(42)30-12-15-31(16-13-30,17-14-30)39-27(41)26-24(20-6-5-7-22(35)25(20)36)33(32(38-26)10-3-2-4-11-32)21-9-8-19(34)18-23(21)37-29(33)43/h5-9,18,24,26,38H,2-4,10-17H2,1H3,(H,37,43)(H,39,41)(H,40,42)/t24-,26+,30?,31?,33+/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	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 Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2				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))	BDBM50237734 (CHEMBL4098834) Show SMILES CS(=O)(=O)NC(=O)C12CCC(CC1)(CC2)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C33H37Cl2FN4O5S/c1-46(44,45)40-28(42)30-12-15-31(16-13-30,17-14-30)39-27(41)26-24(20-6-5-7-22(35)25(20)36)33(32(38-26)10-3-2-4-11-32)21-9-8-19(34)18-23(21)37-29(33)43/h5-9,18,24,26,38H,2-4,10-17H2,1H3,(H,37,43)(H,39,41)(H,40,42)/t24-,26+,30?,31?,33+/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	6.30	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 [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2				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