BDBM50541331 CHEMBL4636501

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

InChI Key: InChIKey=HVCBSZZKWHLAJI-ZWKOTPCHSA-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 = 50541331   

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))	BDBM50541331 (CHEMBL4636501) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6| Show InChI InChI=1S/C19H25NO2/c1-14(2)7-6-8-15-11-12-17(19(21)20-22)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18,22H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	600	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))	BDBM50541331 (CHEMBL4636501) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6| Show InChI InChI=1S/C19H25NO2/c1-14(2)7-6-8-15-11-12-17(19(21)20-22)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18,22H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	7.30E+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))	BDBM50541331 (CHEMBL4636501) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#8] |r,t:6| Show InChI InChI=1S/C19H25NO2/c1-14(2)7-6-8-15-11-12-17(19(21)20-22)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18,22H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/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	1.90E+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