BDBM50541337 CHEMBL4640677

SMILES: [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1

InChI Key: InChIKey=UMOKNTQMINGARC-LEWJYISDSA-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 = 50541337   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541337 (CHEMBL4640677) Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:11| Show InChI InChI=1S/C23H31NO3/c1-17(2)8-7-9-18-12-13-20(23(26)24-15-14-22(25)27-3)21(16-18)19-10-5-4-6-11-19/h4-6,8,10-12,20-21H,7,9,13-16H2,1-3H3,(H,24,26)/t20-,21+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)/Bim interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 mi...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541337 (CHEMBL4640677) Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:11| Show InChI InChI=1S/C23H31NO3/c1-17(2)8-7-9-18-12-13-20(23(26)24-15-14-22(25)27-3)21(16-18)19-10-5-4-6-11-19/h4-6,8,10-12,20-21H,7,9,13-16H2,1-3H3,(H,24,26)/t20-,21+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of Mcl-1 (unknown origin)/Bid interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 m...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50541337 (CHEMBL4640677) Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:11| Show InChI InChI=1S/C23H31NO3/c1-17(2)8-7-9-18-12-13-20(23(26)24-15-14-22(25)27-3)21(16-18)19-10-5-4-6-11-19/h4-6,8,10-12,20-21H,7,9,13-16H2,1-3H3,(H,24,26)/t20-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)/Bak interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair