BDBM50500860 CHEMBL3799447

SMILES: CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=XMMSWQSSUYVMCR-UHFFFAOYSA-N

Data: 3 KI  2 IC50  3 Kd

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 8 hits for monomerid = 50500860   

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))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluore...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	472	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration microca...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration microcalorimetri...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of MDM2 in human HCT116 p53+/+ cells assessed as growth inhibition				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration microcalorimetri...				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500860 (CHEMBL3799447) Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1c(nn(c1-c1ccc(OC(C)C)cc1)-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-22(2)42-28-16-10-24(11-17-28)33-31(36-34(39)25-12-18-29(19-13-25)43-23(3)4)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-27-8-6-5-7-9-27/h5-23H,1-4H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of Bcl2 in human DMS53 cells assessed as growth inhibition				J Med Chem 59: 3152-62 (2016) Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK
					More data for this Ligand-Target Pair