BDBM50330250 5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-2,2'-binaphthyl-1,1',4,4'-tetraone::CHEMBL1269107

SMILES: Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O

InChI Key: InChIKey=HDXGJUXUTQJFQS-UHFFFAOYSA-N

Data: 8 KI  8 IC50  1 Kd

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 17 hits for monomerid = 50330250   

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))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of MCl-1 (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of adenosine receptor A1 (unknown origin)				Eur J Med Chem 177: 63-75 (2019) Article DOI: 10.1016/j.ejmech.2019.05.019
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bcl-2 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	240	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bak-BH3 binding to GST-tagged Bcl-xL (unknown origin) preincubated for 5 mins followed by FITC-Bak-BH3 addition measured a...				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl-2 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured af...				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bcl-2 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	122	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl2A1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured a...				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	340	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	n/a	450	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity Bcl-xL by isothermal titration calorimetry assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Bcl-2-related protein A1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	650	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay				J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50330250 (5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...) Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O |w:35.39,17.17,(-7.42,-40.72,;-6.09,-41.48,;-4.75,-40.7,;-3.41,-41.48,;-2.08,-40.7,;-2.09,-39.16,;-.74,-41.48,;.59,-40.71,;1.93,-41.49,;1.92,-43.03,;3.25,-40.73,;4.57,-41.51,;5.92,-40.76,;7.24,-41.54,;5.93,-39.21,;7.28,-38.45,;4.6,-38.42,;4.61,-36.88,;5.95,-36.12,;7.28,-36.91,;8.61,-36.15,;8.63,-34.61,;7.29,-33.83,;5.96,-34.6,;3.26,-39.18,;1.93,-38.41,;1.94,-36.87,;.59,-39.18,;-.74,-38.41,;-.74,-43.03,;.6,-43.8,;-2.08,-43.8,;-2.08,-45.34,;-3.41,-43.03,;-4.75,-43.8,;-4.76,-45.34,;-6.09,-46.11,;-7.42,-45.33,;-8.75,-46.1,;-8.76,-47.64,;-7.41,-48.41,;-6.08,-47.64,;-6.09,-43.03,;-7.42,-43.8,)| Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2	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	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Mcl-1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured af...				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair