Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'awang' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50541325 (CHEMBL4644062) Show SMILES [#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:8| Show InChI InChI=1S/C21H29NO2/c1-16(2)9-8-10-17-13-14-19(21(23)22(3)24-4)20(15-17)18-11-6-5-7-12-18/h5-7,9,11-13,19-20H,8,10,14-15H2,1-4H3/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541332 (CHEMBL4635324) 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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541325 (CHEMBL4644062) Show SMILES [#6]-[#8]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:8| Show InChI InChI=1S/C21H29NO2/c1-16(2)9-8-10-17-13-14-19(21(23)22(3)24-4)20(15-17)18-11-6-5-7-12-18/h5-7,9,11-13,19-20H,8,10,14-15H2,1-4H3/t19-,20+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541353 (CHEMBL4640455) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CC[C@@H](CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:28.31,1.0,16.19,wD:3.3,22.27,9.9,13.12,c:7,25,(36.45,-22.49,;36.46,-24.04,;35.13,-23.25,;33.81,-24.03,;33.79,-22.49,;32.48,-23.24,;31.15,-24.03,;29.81,-23.26,;31.15,-25.57,;32.48,-26.32,;31.37,-27.42,;29.88,-27.01,;29.5,-25.52,;28.79,-28.09,;27.31,-27.67,;26.22,-28.75,;26.6,-30.24,;28.08,-30.65,;29.19,-29.57,;25.49,-31.32,;24.01,-30.9,;25.87,-32.82,;33.8,-25.57,;35.11,-26.33,;36.45,-25.58,;33.78,-27.1,;32.44,-27.85,;35.1,-27.88,;37.8,-23.27,;37.81,-21.73,;39.13,-24.05,;40.47,-23.28,;41.8,-24.07,;43.14,-23.3,;44.47,-24.08,;43.15,-21.76,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25+,26-,27-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541329 (CHEMBL4632968) Show SMILES [#6]-[#7](-[#8])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21(3)23)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19,23H,7,9,13-14H2,1-3H3/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541346 (CHEMBL4648756) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C26H29NO3/c1-18(2)7-6-8-19-11-16-23(24(17-19)20-9-4-3-5-10-20)25(28)27-22-14-12-21(13-15-22)26(29)30/h3-5,7,9-15,23-24H,6,8,16-17H2,1-2H3,(H,27,28)(H,29,30)/t23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541330 (CHEMBL4646779) Show SMILES [#6]-[#7](-[#8])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21(3)23)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19,23H,7,9,13-14H2,1-3H3/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541327 (CHEMBL4640382) Show SMILES [#6]-[#8]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21-23-3)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19H,7,9,13-14H2,1-3H3,(H,21,22)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541328 (CHEMBL4646299) Show SMILES [#6]-[#8]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21-23-3)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19H,7,9,13-14H2,1-3H3,(H,21,22)/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541323 (CHEMBL4632892) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C19H24O2/c1-14(2)7-6-8-15-11-12-17(19(20)21)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18H,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	Article PubMed	4.00E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182486 (MALABARICONE B) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1 Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541353 (CHEMBL4640455) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CC[C@@H](CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:28.31,1.0,16.19,wD:3.3,22.27,9.9,13.12,c:7,25,(36.45,-22.49,;36.46,-24.04,;35.13,-23.25,;33.81,-24.03,;33.79,-22.49,;32.48,-23.24,;31.15,-24.03,;29.81,-23.26,;31.15,-25.57,;32.48,-26.32,;31.37,-27.42,;29.88,-27.01,;29.5,-25.52,;28.79,-28.09,;27.31,-27.67,;26.22,-28.75,;26.6,-30.24,;28.08,-30.65,;29.19,-29.57,;25.49,-31.32,;24.01,-30.9,;25.87,-32.82,;33.8,-25.57,;35.11,-26.33,;36.45,-25.58,;33.78,-27.1,;32.44,-27.85,;35.1,-27.88,;37.8,-23.27,;37.81,-21.73,;39.13,-24.05,;40.47,-23.28,;41.8,-24.07,;43.14,-23.3,;44.47,-24.08,;43.15,-21.76,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25+,26-,27-,30+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541335 (CHEMBL4641996) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C21H29NO/c1-16(2)9-8-10-17-13-14-19(21(23)22(3)4)20(15-17)18-11-6-5-7-12-18/h5-7,9,11-13,19-20H,8,10,14-15H2,1-4H3/t19-,20+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					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	Article 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50541323 (CHEMBL4632892) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C19H24O2/c1-14(2)7-6-8-15-11-12-17(19(20)21)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50187684 (CHEMBL3827910) Show SMILES COc1c(OC)c(OC)c2c(ccc3ccccc23)c1CCN(C)C Show InChI InChI=1S/C21H25NO3/c1-22(2)13-12-17-16-11-10-14-8-6-7-9-15(14)18(16)20(24-4)21(25-5)19(17)23-3/h6-11H,12-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after...				Bioorg Med Chem 24: 4464-4469 (2016) Article DOI: 10.1016/j.bmc.2016.07.043 BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541329 (CHEMBL4632968) Show SMILES [#6]-[#7](-[#8])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21(3)23)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19,23H,7,9,13-14H2,1-3H3/t18-,19+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					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	Article 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541332 (CHEMBL4635324) 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+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50541353 (CHEMBL4640455) Show SMILES [H][C@@]1(C[C@]2([H])CC(C)=C[C@@H](\C=C(/C)[C@H]3CC[C@@H](CC3)C(O)=O)[C@@]2(C=C1)C(O)=O)[C@@H](C)CCC=C(C)C |r,wU:28.31,1.0,16.19,wD:3.3,22.27,9.9,13.12,c:7,25,(36.45,-22.49,;36.46,-24.04,;35.13,-23.25,;33.81,-24.03,;33.79,-22.49,;32.48,-23.24,;31.15,-24.03,;29.81,-23.26,;31.15,-25.57,;32.48,-26.32,;31.37,-27.42,;29.88,-27.01,;29.5,-25.52,;28.79,-28.09,;27.31,-27.67,;26.22,-28.75,;26.6,-30.24,;28.08,-30.65,;29.19,-29.57,;25.49,-31.32,;24.01,-30.9,;25.87,-32.82,;33.8,-25.57,;35.11,-26.33,;36.45,-25.58,;33.78,-27.1,;32.44,-27.85,;35.1,-27.88,;37.8,-23.27,;37.81,-21.73,;39.13,-24.05,;40.47,-23.28,;41.8,-24.07,;43.14,-23.3,;44.47,-24.08,;43.15,-21.76,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23-,24-,25+,26-,27-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541345 (CHEMBL4640067) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C26H29NO3/c1-18(2)7-6-8-19-11-16-23(24(17-19)20-9-4-3-5-10-20)25(28)27-22-14-12-21(13-15-22)26(29)30/h3-5,7,9-15,23-24H,6,8,16-17H2,1-2H3,(H,27,28)(H,29,30)/t23-,24+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.50E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541324 (CHEMBL4637044) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C19H24O2/c1-14(2)7-6-8-15-11-12-17(19(20)21)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541349 (CHEMBL4646811) Show SMILES CC1(C)CCCC2=C1C[C@@H]([C@H](C2)c1ccccc1)C(O)=O |r,c:6| Show InChI InChI=1S/C19H24O2/c1-19(2)10-6-9-14-11-15(13-7-4-3-5-8-13)16(18(20)21)12-17(14)19/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,20,21)/t15-,16+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541330 (CHEMBL4646779) Show SMILES [#6]-[#7](-[#8])-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21(3)23)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19,23H,7,9,13-14H2,1-3H3/t18-,19+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50541324 (CHEMBL4637044) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C19H24O2/c1-14(2)7-6-8-15-11-12-17(19(20)21)18(13-15)16-9-4-3-5-10-16/h3-5,7,9-11,17-18H,6,8,12-13H2,1-2H3,(H,20,21)/t17-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50295162 (CHEMBL556082 | Meiogynin A) Show SMILES C[C@H](CCC=C(C)C)[C@@H]1C[C@H]2CC(C)=C[C@H](\C=C(/C)C3CCC(CC3)C(O)=O)[C@]2(C=C1)C(O)=O |r,wU:10.9,1.0,wD:8.7,15.15,28.33,c:13,31,(.38,-9.24,;.38,-7.7,;1.72,-6.94,;3.05,-7.71,;4.39,-6.94,;5.72,-7.71,;7.05,-6.94,;5.72,-9.25,;-.95,-6.93,;-2.28,-7.7,;-3.61,-6.93,;-4.95,-7.7,;-6.28,-6.93,;-7.62,-7.69,;-6.28,-5.39,;-4.94,-4.62,;-4.94,-3.08,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,-.01,;-7.61,1.53,;-6.28,2.31,;-4.95,1.53,;-4.95,-.01,;-6.28,3.85,;-4.95,4.61,;-7.62,4.61,;-3.61,-5.39,;-2.28,-4.62,;-.95,-5.39,;-3.21,-3.9,;-1.78,-3.31,;-4.43,-2.95,)| Show InChI InChI=1S/C30H44O4/c1-19(2)7-6-8-21(4)25-13-14-30(29(33)34)26(15-20(3)16-27(30)18-25)17-22(5)23-9-11-24(12-10-23)28(31)32/h7,13-15,17,21,23-27H,6,8-12,16,18H2,1-5H3,(H,31,32)(H,33,34)/b22-17+/t21-,23?,24?,25+,26-,27-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Displacement of fluorescent-tagged BH3 domain of Bak from Bcl-xL by fluorescence polarization assay				J Nat Prod 72: 480-3 (2010) Article DOI: 10.1021/np8006292 BindingDB Entry DOI: 10.7270/Q20R9PFQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50182491 (CHEBI:69015 | Malabaricone C) Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Mixed inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 26: 3785-92 (2016) Article DOI: 10.1016/j.bmcl.2016.05.046 BindingDB Entry DOI: 10.7270/Q2F47R34
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541338 (CHEMBL4647892) 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+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541352 (CHEMBL4637744) Show SMILES CON(C)C(=O)[C@@H]1CC2=C(CCCC2(C)C)C[C@H]1c1ccccc1 |r,t:8| Show InChI InChI=1S/C21H29NO2/c1-21(2)12-8-11-16-13-17(15-9-6-5-7-10-15)18(14-19(16)21)20(23)22(3)24-4/h5-7,9-10,17-18H,8,11-14H2,1-4H3/t17-,18+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541327 (CHEMBL4640382) Show SMILES [#6]-[#8]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C20H27NO2/c1-15(2)8-7-9-16-12-13-18(20(22)21-23-3)19(14-16)17-10-5-4-6-11-17/h4-6,8,10-12,18-19H,7,9,13-14H2,1-3H3,(H,21,22)/t18-,19+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.66E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50541332 (CHEMBL4635324) 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+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.74E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50541351 (CHEMBL4633491) Show SMILES CON(C)C(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@@H]1c1ccccc1 |r,t:8| Show InChI InChI=1S/C21H29NO2/c1-21(2)12-8-11-16-13-17(15-9-6-5-7-10-15)18(14-19(16)21)20(23)22(3)24-4/h5-7,9-10,17-18H,8,11-14H2,1-4H3/t17-,18+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50541335 (CHEMBL4641996) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6@H]-1-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-1-c1ccccc1 |r,t:7| Show InChI InChI=1S/C21H29NO/c1-16(2)9-8-10-17-13-14-19(21(23)22(3)4)20(15-17)18-11-6-5-7-12-18/h5-7,9,11-13,19-20H,8,10,14-15H2,1-4H3/t19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.01E+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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541338 (CHEMBL4647892) 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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541339 (CHEMBL4647854) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:13| Show InChI InChI=1S/C27H31NO3/c1-19(2)8-7-9-20-12-17-24(25(18-20)21-10-5-4-6-11-21)26(29)28-23-15-13-22(14-16-23)27(30)31-3/h4-6,8,10-16,24-25H,7,9,17-18H2,1-3H3,(H,28,29)/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541340 (CHEMBL4639800) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:13| Show InChI InChI=1S/C27H31NO3/c1-19(2)8-7-9-20-12-17-24(25(18-20)21-10-5-4-6-11-21)26(29)28-23-15-13-22(14-16-23)27(30)31-3/h4-6,8,10-16,24-25H,7,9,17-18H2,1-3H3,(H,28,29)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541341 (CHEMBL4638032) Show SMILES [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@@H]-2-c2ccccc2)cc1 |r,t:11| Show InChI InChI=1S/C26H31NO2/c1-19(2)8-7-9-20-12-17-24(25(18-20)21-10-5-4-6-11-21)26(28)27-22-13-15-23(29-3)16-14-22/h4-6,8,10-16,24-25H,7,9,17-18H2,1-3H3,(H,27,28)/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541342 (CHEMBL4645693) Show SMILES [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]=[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6@H]-2-c2ccccc2)cc1 |r,t:11| Show InChI InChI=1S/C26H31NO2/c1-19(2)8-7-9-20-12-17-24(25(18-20)21-10-5-4-6-11-21)26(28)27-22-13-15-23(29-3)16-14-22/h4-6,8,10-16,24-25H,7,9,17-18H2,1-3H3,(H,27,28)/t24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541343 (CHEMBL4644989) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C22H29NO3/c1-16(2)7-6-8-17-11-12-19(22(26)23-14-13-21(24)25)20(15-17)18-9-4-3-5-10-18/h3-5,7,9-11,19-20H,6,8,12-15H2,1-2H3,(H,23,26)(H,24,25)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541344 (CHEMBL4648345) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C22H29NO3/c1-16(2)7-6-8-17-11-12-19(22(26)23-14-13-21(24)25)20(15-17)18-9-4-3-5-10-18/h3-5,7,9-11,19-20H,6,8,12-15H2,1-2H3,(H,23,26)(H,24,25)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541345 (CHEMBL4640067) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#8])=O |r,t:6| Show InChI InChI=1S/C26H29NO3/c1-18(2)7-6-8-19-11-16-23(24(17-19)20-9-4-3-5-10-20)25(28)27-22-14-12-21(13-15-22)26(29)30/h3-5,7,9-15,23-24H,6,8,16-17H2,1-2H3,(H,27,28)(H,29,30)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541347 (CHEMBL4637035) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@@H](-[#6@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6| Show InChI InChI=1S/C25H29NO2/c1-18(2)7-6-8-19-11-16-23(24(17-19)20-9-4-3-5-10-20)25(28)26-21-12-14-22(27)15-13-21/h3-5,7,9-15,23-24,27H,6,8,16-17H2,1-2H3,(H,26,28)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541348 (CHEMBL4644487) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6]-[#6@H](-[#6@@H](-[#6]-1)-c1ccccc1)-[#6](=O)-[#7]-c1ccc(-[#8])cc1 |r,t:6| Show InChI InChI=1S/C25H29NO2/c1-18(2)7-6-8-19-11-16-23(24(17-19)20-9-4-3-5-10-20)25(28)26-21-12-14-22(27)15-13-21/h3-5,7,9-15,23-24,27H,6,8,16-17H2,1-2H3,(H,26,28)/t23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541349 (CHEMBL4646811) Show SMILES CC1(C)CCCC2=C1C[C@@H]([C@H](C2)c1ccccc1)C(O)=O |r,c:6| Show InChI InChI=1S/C19H24O2/c1-19(2)10-6-9-14-11-15(13-7-4-3-5-8-13)16(18(20)21)12-17(14)19/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,20,21)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50541350 (CHEMBL4633307) Show SMILES CC1(C)CCCC2=C1C[C@H]([C@@H](C2)c1ccccc1)C(O)=O |r,c:6| Show InChI InChI=1S/C19H24O2/c1-19(2)10-6-9-14-11-15(13-7-4-3-5-8-13)16(18(20)21)12-17(14)19/h3-5,7-8,15-16H,6,9-12H2,1-2H3,(H,20,21)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 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) Article DOI: 10.1016/j.bmcl.2020.127003 BindingDB Entry DOI: 10.7270/Q2445R24
					More data for this Ligand-Target Pair

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