Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50045095   

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))	BDBM50044926 (CHEMBL3309312) Show SMILES CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)27-32-66-46-10-6-9-43(36-11-15-38(50)16-12-36)44(46)34-58-23-25-59(26-24-58)40-17-13-37(14-18-40)48(60)55-69(63,64)42-19-20-45(47(33-42)68(61,62)49(51,52)53)54-39(21-22-57-28-30-65-31-29-57)35-67-41-7-4-3-5-8-41/h3-20,33,39,54H,21-32,34-35H2,1-2H3,(H,55,60)/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044953 (CHEMBL3309310) Show SMILES Cn1ncc(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H47ClF3N7O6S3/c1-51-41(31-7-11-34(44)12-8-31)33(28-48-51)29-53-19-21-54(22-20-53)36-13-9-32(10-14-36)42(55)50-63(58,59)38-15-16-39(40(27-38)62(56,57)43(45,46)47)49-35(17-18-52-23-25-60-26-24-52)30-61-37-5-3-2-4-6-37/h2-16,27-28,35,49H,17-26,29-30H2,1H3,(H,50,55)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044927 (CHEMBL3309313) Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)26-31-66-42-16-18-45(36-8-12-39(50)13-9-36)38(32-42)34-58-22-24-59(25-23-58)41-14-10-37(11-15-41)48(60)55-69(63,64)44-17-19-46(47(33-44)68(61,62)49(51,52)53)54-40(20-21-57-27-29-65-30-28-57)35-67-43-6-4-3-5-7-43/h3-19,32-33,40,54H,20-31,34-35H2,1-2H3,(H,55,60)/t40-/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044925 (CHEMBL3309262) Show SMILES CN(C)C(=O)COc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H54ClF3N6O8S3/c1-56(2)47(60)33-67-41-16-18-44(35-8-12-38(50)13-9-35)37(30-41)32-58-22-24-59(25-23-58)40-14-10-36(11-15-40)48(61)55-70(64,65)43-17-19-45(46(31-43)69(62,63)49(51,52)53)54-39(20-21-57-26-28-66-29-27-57)34-68-42-6-4-3-5-7-42/h3-19,30-31,39,54H,20-29,32-34H2,1-2H3,(H,55,61)/t39-/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044924 (CHEMBL3309311) Show SMILES CN(C)C(=O)COc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H54ClF3N6O8S3/c1-56(2)47(60)33-67-45-10-6-9-42(35-11-15-37(50)16-12-35)43(45)32-58-23-25-59(26-24-58)39-17-13-36(14-18-39)48(61)55-70(64,65)41-19-20-44(46(31-41)69(62,63)49(51,52)53)54-38(21-22-57-27-29-66-30-28-57)34-68-40-7-4-3-5-8-40/h3-20,31,38,54H,21-30,32-34H2,1-2H3,(H,55,61)/t38-/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044953 (CHEMBL3309310) Show SMILES Cn1ncc(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H47ClF3N7O6S3/c1-51-41(31-7-11-34(44)12-8-31)33(28-48-51)29-53-19-21-54(22-20-53)36-13-9-32(10-14-36)42(55)50-63(58,59)38-15-16-39(40(27-38)62(56,57)43(45,46)47)49-35(17-18-52-23-25-60-26-24-52)30-61-37-5-3-2-4-6-37/h2-16,27-28,35,49H,17-26,29-30H2,1H3,(H,50,55)/t35-/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044944 (CHEMBL3311493) Show SMILES OCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C47H50ClF3N4O7S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-56)21-24-55(25-22-46)39-16-12-35(13-17-39)45(57)53-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)52-38(20-23-54-26-28-62-29-27-54)32-63-40-7-2-1-3-8-40/h1-19,30,38,52,56H,20-29,31-33H2,(H,53,57)/t38-/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	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044940 (CHEMBL3311491) Show SMILES NCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C47H51ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-33,52H2,(H,54,57)/t38-/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	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044923 (CHEMBL3311490) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r| Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-32H2,(H,54,57)/t38-/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	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044936 (CHEMBL3311486) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)C(=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H46ClF3N4O7S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-64(59,60)39-18-19-42(43(30-39)63(57,58)46(48,49)50)51-36(22-23-53-26-28-61-29-27-53)31-62-38-6-2-1-3-7-38/h1-19,30,33,36,51H,20-29,31H2,(H,52,56)/t36-/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	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044927 (CHEMBL3309313) Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)26-31-66-42-16-18-45(36-8-12-39(50)13-9-36)38(32-42)34-58-22-24-59(25-23-58)41-14-10-37(11-15-41)48(60)55-69(63,64)44-17-19-46(47(33-44)68(61,62)49(51,52)53)54-40(20-21-57-27-29-65-30-28-57)35-67-43-6-4-3-5-7-43/h3-19,32-33,40,54H,20-31,34-35H2,1-2H3,(H,55,60)/t40-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044926 (CHEMBL3309312) Show SMILES CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)27-32-66-46-10-6-9-43(36-11-15-38(50)16-12-36)44(46)34-58-23-25-59(26-24-58)40-17-13-37(14-18-40)48(60)55-69(63,64)42-19-20-45(47(33-42)68(61,62)49(51,52)53)54-39(21-22-57-28-30-65-31-29-57)35-67-41-7-4-3-5-8-41/h3-20,33,39,54H,21-32,34-35H2,1-2H3,(H,55,60)/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044925 (CHEMBL3309262) Show SMILES CN(C)C(=O)COc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H54ClF3N6O8S3/c1-56(2)47(60)33-67-41-16-18-44(35-8-12-38(50)13-9-35)37(30-41)32-58-22-24-59(25-23-58)40-14-10-36(11-15-40)48(61)55-70(64,65)43-17-19-45(46(31-43)69(62,63)49(51,52)53)54-39(20-21-57-26-28-66-29-27-57)34-68-42-6-4-3-5-7-42/h3-19,30-31,39,54H,20-29,32-34H2,1-2H3,(H,55,61)/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044924 (CHEMBL3309311) Show SMILES CN(C)C(=O)COc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H54ClF3N6O8S3/c1-56(2)47(60)33-67-45-10-6-9-42(35-11-15-37(50)16-12-35)43(45)32-58-23-25-59(26-24-58)39-17-13-36(14-18-39)48(61)55-70(64,65)41-19-20-44(46(31-41)69(62,63)49(51,52)53)54-38(21-22-57-27-29-66-30-28-57)34-68-40-7-4-3-5-8-40/h3-20,31,38,54H,21-30,32-34H2,1-2H3,(H,55,61)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044949 (CHEMBL3309307) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccncc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF3N6O6S3/c45-35-10-6-32(7-11-35)40-29-49-18-16-34(40)30-53-20-22-54(23-21-53)37-12-8-33(9-13-37)43(55)51-63(58,59)39-14-15-41(42(28-39)62(56,57)44(46,47)48)50-36(17-19-52-24-26-60-27-25-52)31-61-38-4-2-1-3-5-38/h1-16,18,28-29,36,50H,17,19-27,30-31H2,(H,51,55)/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044940 (CHEMBL3311491) Show SMILES NCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C47H51ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-33,52H2,(H,54,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044923 (CHEMBL3311490) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(Cc2ccccc2-c2ccc(Cl)cc2)(CC1)C#N |r| Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-52)21-24-56(25-22-46)39-16-12-35(13-17-39)45(57)54-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)53-38(20-23-55-26-28-62-29-27-55)32-63-40-7-2-1-3-8-40/h1-19,30,38,53H,20-29,31-32H2,(H,54,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044920 (CHEMBL3311329) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N5O6S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-53-22-24-54(25-23-53)38-16-12-34(13-17-38)44(55)51-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)50-37(20-21-52-26-28-60-29-27-52)32-61-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,55)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044922 (CHEMBL3311488) Show SMILES [O-][S@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O7S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)62(55)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-64(58,59)39-18-19-41(43(30-39)63(56,57)45(47,48)49)50-35(20-23-52-26-28-60-29-27-52)31-61-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-,62-/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	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044920 (CHEMBL3311329) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N5O6S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-53-22-24-54(25-23-53)38-16-12-34(13-17-38)44(55)51-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)50-37(20-21-52-26-28-60-29-27-52)32-61-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,55)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044949 (CHEMBL3309307) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccncc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF3N6O6S3/c45-35-10-6-32(7-11-35)40-29-49-18-16-34(40)30-53-20-22-54(23-21-53)37-12-8-33(9-13-37)43(55)51-63(58,59)39-14-15-41(42(28-39)62(56,57)44(46,47)48)50-36(17-19-52-24-26-60-27-25-52)31-61-38-4-2-1-3-5-38/h1-16,18,28-29,36,50H,17,19-27,30-31H2,(H,51,55)/t36-/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	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044920 (CHEMBL3311329) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N5O6S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-53-22-24-54(25-23-53)38-16-12-34(13-17-38)44(55)51-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)50-37(20-21-52-26-28-60-29-27-52)32-61-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,55)/t37-/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	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044942 (CHEMBL3311492) Show SMILES CCOC(=O)C1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C49H52ClF3N4O8S3/c1-2-65-47(59)48(33-37-8-6-7-11-43(37)35-12-16-38(50)17-13-35)23-26-57(27-24-48)40-18-14-36(15-19-40)46(58)55-68(62,63)42-20-21-44(45(32-42)67(60,61)49(51,52)53)54-39(22-25-56-28-30-64-31-29-56)34-66-41-9-4-3-5-10-41/h3-21,32,39,54H,2,22-31,33-34H2,1H3,(H,55,58)/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044921 (CHEMBL3311480) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cnc(nc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-34-12-10-31(11-13-34)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)42-48-27-33(28-49-42)41(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-35(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,35,50H,16-25,29-30H2,(H,51,55)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044934 (CHEMBL3311484) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N4O7PS3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-61(55)28-24-53(25-29-61)38-16-12-34(13-17-38)44(54)51-64(58,59)40-18-19-42(43(30-40)63(56,57)45(47,48)49)50-37(20-21-52-22-26-60-27-23-52)32-62-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,54)/t37-/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	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044928 (CHEMBL3311330) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H48ClF3N6O5S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-54-22-24-55(25-23-54)38-16-12-34(13-17-38)44(50)52-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)51-37(20-21-53-26-28-60-29-27-53)32-61-39-7-2-1-3-8-39/h1-19,30,37,51H,20-29,31-32H2,(H2,50,52)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044922 (CHEMBL3311488) Show SMILES [O-][S@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O7S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)62(55)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-64(58,59)39-18-19-41(43(30-39)63(56,57)45(47,48)49)50-35(20-23-52-26-28-60-29-27-52)31-61-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-,62-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044948 (CHEMBL3311494) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-33-27-48-41(49-28-33)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)35-12-10-31(11-13-35)42(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-34(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,34,50H,16-25,29-30H2,(H,51,55)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044939 (CHEMBL3309283) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)S(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O8S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)63(55,56)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-65(59,60)39-18-19-41(43(30-39)64(57,58)45(47,48)49)50-35(20-23-52-26-28-61-29-27-52)31-62-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-/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	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044948 (CHEMBL3311494) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ncc(Cl)cn2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-33-27-48-41(49-28-33)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)35-12-10-31(11-13-35)42(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-34(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,34,50H,16-25,29-30H2,(H,51,55)/t34-/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	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044927 (CHEMBL3309313) Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)26-31-66-42-16-18-45(36-8-12-39(50)13-9-36)38(32-42)34-58-22-24-59(25-23-58)41-14-10-37(11-15-41)48(60)55-69(63,64)44-17-19-46(47(33-44)68(61,62)49(51,52)53)54-40(20-21-57-27-29-65-30-28-57)35-67-43-6-4-3-5-7-43/h3-19,32-33,40,54H,20-31,34-35H2,1-2H3,(H,55,60)/t40-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044950 (CHEMBL3309308) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccnc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF3N6O6S3/c45-35-12-8-32(9-13-35)42-34(5-4-19-49-42)30-53-21-23-54(24-22-53)37-14-10-33(11-15-37)43(55)51-63(58,59)39-16-17-40(41(29-39)62(56,57)44(46,47)48)50-36(18-20-52-25-27-60-28-26-52)31-61-38-6-2-1-3-7-38/h1-17,19,29,36,50H,18,20-28,30-31H2,(H,51,55)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044950 (CHEMBL3309308) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cccnc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF3N6O6S3/c45-35-12-8-32(9-13-35)42-34(5-4-19-49-42)30-53-21-23-54(24-22-53)37-14-10-33(11-15-37)43(55)51-63(58,59)39-16-17-40(41(29-39)62(56,57)44(46,47)48)50-36(18-20-52-25-27-60-28-26-52)31-61-38-6-2-1-3-7-38/h1-17,19,29,36,50H,18,20-28,30-31H2,(H,51,55)/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044942 (CHEMBL3311492) Show SMILES CCOC(=O)C1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C49H52ClF3N4O8S3/c1-2-65-47(59)48(33-37-8-6-7-11-43(37)35-12-16-38(50)17-13-35)23-26-57(27-24-48)40-18-14-36(15-19-40)46(58)55-68(62,63)42-20-21-44(45(32-42)67(60,61)49(51,52)53)54-39(22-25-56-28-30-64-31-29-56)34-66-41-9-4-3-5-10-41/h3-21,32,39,54H,2,22-31,33-34H2,1H3,(H,55,58)/t39-/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	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044937 (CHEMBL3311487) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Sc1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O6S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)61-38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-63(57,58)39-18-19-41(43(30-39)62(55,56)45(47,48)49)50-35(20-23-52-26-28-59-29-27-52)31-60-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-/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	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044926 (CHEMBL3309312) Show SMILES CN(C)CCOc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H56ClF3N6O7S3/c1-56(2)27-32-66-46-10-6-9-43(36-11-15-38(50)16-12-36)44(46)34-58-23-25-59(26-24-58)40-17-13-37(14-18-40)48(60)55-69(63,64)42-19-20-45(47(33-42)68(61,62)49(51,52)53)54-39(21-22-57-28-30-65-31-29-57)35-67-41-7-4-3-5-8-41/h3-20,33,39,54H,21-32,34-35H2,1-2H3,(H,55,60)/t39-/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	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-xL overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044952 (CHEMBL3309309) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClF3N7O6S3/c43-33-10-6-30(7-11-33)40-32(27-47-49-40)28-52-18-20-53(21-19-52)35-12-8-31(9-13-35)41(54)50-62(57,58)37-14-15-38(39(26-37)61(55,56)42(44,45)46)48-34(16-17-51-22-24-59-25-23-51)29-60-36-4-2-1-3-5-36/h1-15,26-27,34,48H,16-25,28-29H2,(H,47,49)(H,50,54)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044935 (CHEMBL3311485) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Oc1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O7S3/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)60-37-21-24-53(25-22-37)36-16-12-33(13-17-36)44(54)51-63(57,58)39-18-19-41(43(30-39)62(55,56)45(47,48)49)50-35(20-23-52-26-28-59-29-27-52)31-61-38-6-2-1-3-7-38/h1-19,30,35,37,50H,20-29,31H2,(H,51,54)/t35-/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	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044921 (CHEMBL3311480) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cnc(nc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H45ClF3N7O6S3/c44-34-12-10-31(11-13-34)38-9-5-4-6-32(38)29-53-18-20-54(21-19-53)42-48-27-33(28-49-42)41(55)51-63(58,59)37-14-15-39(40(26-37)62(56,57)43(45,46)47)50-35(16-17-52-22-24-60-25-23-52)30-61-36-7-2-1-3-8-36/h1-15,26-28,35,50H,16-25,29-30H2,(H,51,55)/t35-/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	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044952 (CHEMBL3309309) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2cn[nH]c2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClF3N7O6S3/c43-33-10-6-30(7-11-33)40-32(27-47-49-40)28-52-18-20-53(21-19-52)35-12-8-31(9-13-35)41(54)50-62(57,58)37-14-15-38(39(26-37)61(55,56)42(44,45)46)48-34(16-17-51-22-24-59-25-23-51)29-60-36-4-2-1-3-5-36/h1-15,26-27,34,48H,16-25,28-29H2,(H,47,49)(H,50,54)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044924 (CHEMBL3309311) Show SMILES CN(C)C(=O)COc1cccc(c1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C49H54ClF3N6O8S3/c1-56(2)47(60)33-67-45-10-6-9-42(35-11-15-37(50)16-12-35)43(45)32-58-23-25-59(26-24-58)39-17-13-36(14-18-39)48(61)55-70(64,65)41-19-20-44(46(31-41)69(62,63)49(51,52)53)54-38(21-22-57-27-29-66-30-28-57)34-68-40-7-4-3-5-8-40/h3-20,31,38,54H,21-30,32-34H2,1-2H3,(H,55,61)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044938 (CHEMBL3311489) Show SMILES [O-][S@@+](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O7S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)62(55)38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-64(58,59)39-18-19-41(43(30-39)63(56,57)45(47,48)49)50-35(20-23-52-26-28-60-29-27-52)31-61-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-,62+/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	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044934 (CHEMBL3311484) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCP(=O)(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N4O7PS3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-61(55)28-24-53(25-29-61)38-16-12-34(13-17-38)44(54)51-64(58,59)40-18-19-42(43(30-40)63(56,57)45(47,48)49)50-37(20-21-52-22-26-60-27-23-52)32-62-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,54)/t37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044944 (CHEMBL3311493) Show SMILES OCC1(Cc2ccccc2-c2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C47H50ClF3N4O7S3/c48-37-14-10-34(11-15-37)42-9-5-4-6-36(42)31-46(33-56)21-24-55(25-22-46)39-16-12-35(13-17-39)45(57)53-65(60,61)41-18-19-43(44(30-41)64(58,59)47(49,50)51)52-38(20-23-54-26-28-62-29-27-54)32-63-40-7-2-1-3-8-40/h1-19,30,38,52,56H,20-29,31-33H2,(H,53,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-xL overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044937 (CHEMBL3311487) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)Sc1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H46ClF3N4O6S4/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)61-38-21-24-53(25-22-38)36-16-12-33(13-17-36)44(54)51-63(57,58)39-18-19-41(43(30-39)62(55,56)45(47,48)49)50-35(20-23-52-26-28-59-29-27-52)31-60-37-6-2-1-3-7-37/h1-19,30,35,38,50H,20-29,31H2,(H,51,54)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044928 (CHEMBL3311330) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=N)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H48ClF3N6O5S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-54-22-24-55(25-23-54)38-16-12-34(13-17-38)44(50)52-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)51-37(20-21-53-26-28-60-29-27-53)32-61-39-7-2-1-3-8-39/h1-19,30,37,51H,20-29,31-32H2,(H2,50,52)/t37-/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	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50044920 (CHEMBL3311329) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H47ClF3N5O6S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-53-22-24-54(25-23-53)38-16-12-34(13-17-38)44(55)51-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)50-37(20-21-52-26-28-60-29-27-52)32-61-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,55)/t37-/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	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BCL-xL overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50044936 (CHEMBL3311486) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)C(=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H46ClF3N4O7S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(55)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(56)52-64(59,60)39-18-19-42(43(30-39)63(57,58)46(48,49)50)51-36(22-23-53-26-28-61-29-27-53)31-62-38-6-2-1-3-7-38/h1-19,30,33,36,51H,20-29,31H2,(H,52,56)/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after ...				Bioorg Med Chem Lett 24: 3026-33 (2014) Article DOI: 10.1016/j.bmcl.2014.05.036 BindingDB Entry DOI: 10.7270/Q27M09JW
					More data for this Ligand-Target Pair

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