BDBM50237751 CHEMBL4066543

SMILES: CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(C(O)=O)c(C)o1

InChI Key: InChIKey=HXDRUAKPXCZJIL-QHLUZPDOSA-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 = 50237751   

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))	BDBM50237751 (CHEMBL4066543) Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(C(O)=O)c(C)o1 |r| Show InChI InChI=1S/C28H26Cl2FN3O4/c1-14-22(25(35)36)33-24(38-14)23-20(16-7-6-8-18(30)21(16)31)28(27(34(23)2)11-4-3-5-12-27)17-10-9-15(29)13-19(17)32-26(28)37/h6-10,13,20,23H,3-5,11-12H2,1-2H3,(H,32,37)(H,35,36)/t20-,23+,28+/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	3.10	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-1-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))	BDBM50237751 (CHEMBL4066543) Show SMILES CN1[C@H]([C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc23)C11CCCCC1)c1nc(C(O)=O)c(C)o1 |r| Show InChI InChI=1S/C28H26Cl2FN3O4/c1-14-22(25(35)36)33-24(38-14)23-20(16-7-6-8-18(30)21(16)31)28(27(34(23)2)11-4-3-5-12-27)17-10-9-15(29)13-19(17)32-26(28)37/h6-10,13,20,23H,3-5,11-12H2,1-2H3,(H,32,37)(H,35,36)/t20-,23+,28+/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	31	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-2-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