BDBM50336577 3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile::CHEMBL1672068

SMILES: Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1

InChI Key: InChIKey=FARGPDWBASZQBS-UHFFFAOYSA-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 = 50336577   

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))	BDBM50336577 (3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...) Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C22H12N2O2/c1-12-5-7-13(8-6-12)26-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	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 peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay				Eur J Med Chem 46: 3909-16 (2011) Article DOI: 10.1016/j.ejmech.2011.05.062 BindingDB Entry DOI: 10.7270/Q2MK6D8W
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50336577 (3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...) Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C22H12N2O2/c1-12-5-7-13(8-6-12)26-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	445	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 peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay				Eur J Med Chem 46: 3909-16 (2011) Article DOI: 10.1016/j.ejmech.2011.05.062 BindingDB Entry DOI: 10.7270/Q2MK6D8W
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336577 (3-(p-tolyloxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9...) Show SMILES Cc1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C22H12N2O2/c1-12-5-7-13(8-6-12)26-18-10-9-15-19-14(18)3-2-4-16(19)21-20(15)17(11-23)22(25)24-21/h2-10H,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+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 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