BDBM50336580 CHEMBL1672071::Isopropyl-3-(4-isopropylphenoxy)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile

SMILES: CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1

InChI Key: InChIKey=LQPUNUIMIHGZEE-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50336580   

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))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	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))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	252	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))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	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	321	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	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	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50336580 (CHEMBL1672071 | Isopropyl-3-(4-isopropylphenoxy)-8...) Show SMILES CC(C)c1ccc(Oc2ccc3c4c(C#N)c(=O)nc4c4cccc2c34)cc1 Show InChI InChI=1S/C24H16N2O2/c1-13(2)14-6-8-15(9-7-14)28-20-11-10-17-21-16(20)4-3-5-18(21)23-22(17)19(12-25)24(27)26-23/h3-11,13H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	739	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair