BDBM50500863 CHEMBL3797344

SMILES: CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O

InChI Key: InChIKey=BRWCOCICLLQFLI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50500863   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(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	393	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))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(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	446	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))	BDBM50500863 (CHEMBL3797344) Show SMILES CCOc1ccc(cc1)-c1c(NC(=O)c2ccc(OCC(C)C)cc2)c(nn1-c1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C35H33N3O6/c1-4-42-27-16-10-24(11-17-27)33-31(36-34(39)25-12-18-28(19-13-25)43-22-23(2)3)32(35(40)41)37-38(33)26-14-20-30(21-15-26)44-29-8-6-5-7-9-29/h5-21,23H,4,22H2,1-3H3,(H,36,39)(H,40,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+3	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