BDBM50078023 CHEMBL3417403

SMILES: CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1

InChI Key: InChIKey=BWWTWUUFQHIECR-RWEWTDSWSA-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 = 50078023   

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
Apoptosis regulator BAX (Homo sapiens (Human))	BDBM50078023 (CHEMBL3417403) Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14| Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization as...				J Med Chem 58: 2135-48 (2015) Article DOI: 10.1021/jm501123r BindingDB Entry DOI: 10.7270/Q2X35055
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50078023 (CHEMBL3417403) Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14| Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay				J Med Chem 58: 2135-48 (2015) Article DOI: 10.1021/jm501123r BindingDB Entry DOI: 10.7270/Q2X35055
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50078023 (CHEMBL3417403) Show SMILES CCOc1ccccc1N\N=C1\C(C)=NN(C1=O)c1cc(O)cc(c1)-c1ccccc1 |c:14| Show InChI InChI=1S/C24H22N4O3/c1-3-31-22-12-8-7-11-21(22)25-26-23-16(2)27-28(24(23)30)19-13-18(14-20(29)15-19)17-9-5-4-6-10-17/h4-15,25,29H,3H2,1-2H3/b26-23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli"Federico II" Curated by ChEMBL					Assay Description Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay				J Med Chem 58: 2135-48 (2015) Article DOI: 10.1021/jm501123r BindingDB Entry DOI: 10.7270/Q2X35055
					More data for this Ligand-Target Pair