BDBM50266906 CHEMBL4099580

SMILES: CN1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=IIAQNOANTAONEG-UHFFFAOYSA-N

Data: 2 KI

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 = 50266906   

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))	BDBM50266906 (CHEMBL4099580) Show SMILES CN1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(16.72,-22.63,;17.49,-21.31,;19.03,-21.31,;19.8,-19.97,;19.03,-18.63,;17.49,-18.63,;16.72,-19.97,;19.8,-17.3,;19.03,-15.97,;21.34,-17.3,;22.24,-18.55,;23.71,-18.07,;25.05,-18.84,;26.38,-18.07,;27.71,-18.84,;26.38,-16.53,;25.05,-15.76,;23.71,-16.53,;22.24,-16.05,;21.77,-14.59,;22.68,-13.34,;21.77,-12.1,;20.31,-12.57,;20.31,-14.11,;19.06,-15.02,;17.65,-14.39,;16.41,-15.3,;15,-14.67,;14.84,-13.14,;13.43,-12.52,;16.08,-12.23,;17.49,-12.86,;24.22,-13.34,;24.99,-12.01,;26.53,-12.01,;27.3,-13.34,;28.84,-13.34,;26.53,-14.68,;24.99,-14.68,)| Show InChI InChI=1S/C30H26Cl2FN5O/c1-36-12-14-37(15-13-36)30(39)28-26(24-11-8-22(32)16-25(24)35-28)29-27(20-4-9-23(33)10-5-20)34-18-38(29)17-19-2-6-21(31)7-3-19/h2-11,16,18,35H,12-15,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50266906 (CHEMBL4099580) Show SMILES CN1CCN(CC1)C(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccc(F)cc1 |(16.72,-22.63,;17.49,-21.31,;19.03,-21.31,;19.8,-19.97,;19.03,-18.63,;17.49,-18.63,;16.72,-19.97,;19.8,-17.3,;19.03,-15.97,;21.34,-17.3,;22.24,-18.55,;23.71,-18.07,;25.05,-18.84,;26.38,-18.07,;27.71,-18.84,;26.38,-16.53,;25.05,-15.76,;23.71,-16.53,;22.24,-16.05,;21.77,-14.59,;22.68,-13.34,;21.77,-12.1,;20.31,-12.57,;20.31,-14.11,;19.06,-15.02,;17.65,-14.39,;16.41,-15.3,;15,-14.67,;14.84,-13.14,;13.43,-12.52,;16.08,-12.23,;17.49,-12.86,;24.22,-13.34,;24.99,-12.01,;26.53,-12.01,;27.3,-13.34,;28.84,-13.34,;26.53,-14.68,;24.99,-14.68,)| Show InChI InChI=1S/C30H26Cl2FN5O/c1-36-12-14-37(15-13-36)30(39)28-26(24-11-8-22(32)16-25(24)35-28)29-27(20-4-9-23(33)10-5-20)34-18-38(29)17-19-2-6-21(31)7-3-19/h2-11,16,18,35H,12-15,17H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal MDMx (1 to 134 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLT...				J Med Chem 60: 4234-4244 (2017) Article DOI: 10.1021/acs.jmedchem.7b00104 BindingDB Entry DOI: 10.7270/Q2BK1FT3
					More data for this Ligand-Target Pair