BDBM50078017 CHEMBL3417397

SMILES: CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1

InChI Key: InChIKey=YPLBYQXNSWCZEB-XQNSMLJCSA-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 = 50078017   

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 Bcl-2 (Homo sapiens (Human))	BDBM50078017 (CHEMBL3417397) Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1| Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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-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))	BDBM50078017 (CHEMBL3417397) Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1| Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+	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	3.10E+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 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 BAX (Homo sapiens (Human))	BDBM50078017 (CHEMBL3417397) Show SMILES CC1=NN(C(=O)\C1=C\c1ccc(cc1)-c1ccccc1)c1nc(cs1)-c1ccccc1 |t:1| Show InChI InChI=1S/C26H19N3OS/c1-18-23(16-19-12-14-21(15-13-19)20-8-4-2-5-9-20)25(30)29(28-18)26-27-24(17-31-26)22-10-6-3-7-11-22/h2-17H,1H3/b23-16+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+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 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