BDBM50078029 CHEMBL3417409

SMILES: CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O

InChI Key: InChIKey=YFCNCOHMVWGODQ-IKPAITLHSA-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 = 50078029   

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))	BDBM50078029 (CHEMBL3417409) Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19| Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50078029 (CHEMBL3417409) Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19| Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-	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	3.40E+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 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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50078029 (CHEMBL3417409) Show SMILES CN(C)c1ccc(cc1)-c1cc(O)cc(c1)N1N=C(C)\C(=N\Nc2ccc3ccccc3c2)C1=O |t:19| Show InChI InChI=1S/C28H25N5O2/c1-18-27(30-29-23-11-8-19-6-4-5-7-21(19)14-23)28(35)33(31-18)25-15-22(16-26(34)17-25)20-9-12-24(13-10-20)32(2)3/h4-17,29,34H,1-3H3/b30-27-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39E+4	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