BDBM50336588 3-(4-tert-amylthiophenol)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile::CHEMBL1672080

SMILES: CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1

InChI Key: InChIKey=HFPAJOBPOFBWTH-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 50336588   

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))	BDBM50336588 (3-(4-tert-amylthiophenol)-8-oxo-8H-acenaphtho[1,2-...) Show SMILES CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C26H20N2OS/c1-4-26(2,3)15-8-10-16(11-9-15)30-21-13-12-18-22-17(21)6-5-7-19(22)24-23(18)20(14-27)25(29)28-24/h5-13H,4H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	961	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 from human Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50336588 (3-(4-tert-amylthiophenol)-8-oxo-8H-acenaphtho[1,2-...) Show SMILES CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C26H20N2OS/c1-4-26(2,3)15-8-10-16(11-9-15)30-21-13-12-18-22-17(21)6-5-7-19(22)24-23(18)20(14-27)25(29)28-24/h5-13H,4H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	342	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 from human recombinant Bcl-2 after 30 mins by ELISA				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336588 (3-(4-tert-amylthiophenol)-8-oxo-8H-acenaphtho[1,2-...) Show SMILES CCC(C)(C)c1ccc(Sc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C26H20N2OS/c1-4-26(2,3)15-8-10-16(11-9-15)30-21-13-12-18-22-17(21)6-5-7-19(22)24-23(18)20(14-27)25(29)28-24/h5-13H,4H2,1-3H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	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 from human Mcl-1 after 30 mins by ELISA				J Med Chem 54: 1101-5 (2011) Article DOI: 10.1021/jm101181u BindingDB Entry DOI: 10.7270/Q2RF5V96
					More data for this Ligand-Target Pair