BDBM50425963 CHEMBL2314369

SMILES: O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23

InChI Key: InChIKey=WYZUQHDRPNJOCG-UHFFFAOYSA-N

Data: 3 KI  1 IC50  1 Kd

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 5 hits for monomerid = 50425963   

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))	BDBM50425963 (CHEMBL2314369) Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.85E+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 Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay				Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Escherichia coli)	BDBM50425963 (CHEMBL2314369) Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.94E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50425963 (CHEMBL2314369) Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase A				Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50425963 (CHEMBL2314369) Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.23E+4	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis				Eur J Med Chem 59: 141-9 (2013) Article DOI: 10.1016/j.ejmech.2012.10.050 BindingDB Entry DOI: 10.7270/Q25B03V2
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50425963 (CHEMBL2314369) Show SMILES O=[#6]-1\[#6](=[#6](\C#N)C#N)-c2cccc3cccc-1c23 Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay				Eur J Med Chem 60: 410-20 (2013) Article DOI: 10.1016/j.ejmech.2012.12.016 BindingDB Entry DOI: 10.7270/Q2959JVC
					More data for this Ligand-Target Pair