BDBM50078150 CHEMBL3417581

SMILES: OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1

InChI Key: InChIKey=KTRRVUAMYYAKSN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50078150   

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))	BDBM50078150 (CHEMBL3417581) Show SMILES OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay				J Med Chem 58: 2180-94 (2015) Article DOI: 10.1021/jm501258m BindingDB Entry DOI: 10.7270/Q2HX1FC8
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50078150 (CHEMBL3417581) Show SMILES OC(=O)c1[nH]c2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C28H23NO3/c30-28(31)27-24(16-8-18-32-25-17-6-12-19-11-4-5-13-21(19)25)23-15-7-14-22(26(23)29-27)20-9-2-1-3-10-20/h1-7,9-15,17,29H,8,16,18H2,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay in presence of 1% human serum				J Med Chem 58: 2180-94 (2015) Article DOI: 10.1021/jm501258m BindingDB Entry DOI: 10.7270/Q2HX1FC8
					More data for this Ligand-Target Pair