BDBM50500870 CHEMBL3800356

SMILES: CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O

InChI Key: InChIKey=KAOKRVGFJLGJRV-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 = 50500870   

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))	BDBM50500870 (CHEMBL3800356) Show SMILES CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-12-18(20(23)24)21-22(19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.42E+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-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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50500870 (CHEMBL3800356) Show SMILES CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-12-18(20(23)24)21-22(19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.11E+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 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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50500870 (CHEMBL3800356) Show SMILES CC(C)COc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-12-18(20(23)24)21-22(19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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