Compile Data Set for Download or QSAR

Found 1414 hits of ic50 data for polymerid = 3744   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156398 (US9018381, 21) Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/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	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay				J Med Chem 56: 5514-40 (2014) Article DOI: 10.1021/jm400556w BindingDB Entry DOI: 10.7270/Q2X92CQT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156403 (US9018381, 26 | US9248140, 26) Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156380 (US9018381, 4 | US9248140, 4) Show SMILES CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H50ClF3N4O7S3/c1-2-53(28-29-55)25-24-36(31-62-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)63(58,59)46(48,49)50)64(60,61)52-45(57)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(56)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55-56H,2,22-29,31H2,1H3,(H,52,57)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/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	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Inhibition of Bcl-XL				Bioorg Med Chem 20: 4194-200 (2012) Article DOI: 10.1016/j.bmc.2012.05.079 BindingDB Entry DOI: 10.7270/Q24F1TMQ
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156384 (US9018381, 7 | US9248140, 7) Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(CCOP(O)(O)=O)CCOP(O)(O)=O)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H52ClF3N4O14P2S3/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)52-73(65,66)39-18-19-42(43(30-39)72(63,64)46(48,49)50)51-36(31-71-38-6-2-1-3-7-38)22-23-53(26-28-67-69(57,58)59)27-29-68-70(60,61)62/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)(H2,57,58,59)(H2,60,61,62)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156400 (US9018381, 23 | US9248140, 23) Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020938 (CHEMBL3287301) Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156376 (US9018381, 1 | US9248140, 1) Show SMILES OCCN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C48H53ClF3N5O7S3/c49-37-14-10-34(11-15-37)42-8-4-5-9-43(42)46(59)35-20-24-57(25-21-35)39-16-12-36(13-17-39)47(60)54-67(63,64)41-18-19-44(45(32-41)66(61,62)48(50,51)52)53-38(33-65-40-6-2-1-3-7-40)22-23-55-26-28-56(29-27-55)30-31-58/h1-19,32,35,38,46,53,58-59H,20-31,33H2,(H,54,60)/t38-,46-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156377 (US9018381, 2 | US9248140, 2) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H46ClN5O6S2/c1-47(2)25-24-34(29-56-36-8-4-3-5-9-36)45-40-21-20-37(28-41(40)49(52)53)57(54,55)46-43(51)32-14-18-35(19-15-32)48-26-22-31(23-27-48)42(50)39-11-7-6-10-38(39)30-12-16-33(44)17-13-30/h3-21,28,31,34,42,45,50H,22-27,29H2,1-2H3,(H,46,51)/t34-,42-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156378 (US9018381, 3 | US9248140, 3) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156382 (US9018381, 5 | US9248140, 5) Show SMILES OCCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H50ClF3N4O8S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(57)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(58)52-65(61,62)39-18-19-42(43(30-39)64(59,60)46(48,49)50)51-36(22-23-53(26-28-55)27-29-56)31-63-38-6-2-1-3-7-38/h1-19,30,33,36,44,51,55-57H,20-29,31H2,(H,52,58)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156407 (US9018381, 30 | US9248140, 30) Show SMILES COP(O)(=O)O[C@H](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/C47H51ClF3N4O10PS3/c1-63-66(57,58)65-45(42-10-6-5-9-41(42)33-11-15-36(48)16-12-33)34-21-25-55(26-22-34)38-17-13-35(14-18-38)46(56)53-69(61,62)40-19-20-43(44(31-40)68(59,60)47(49,50)51)52-37(23-24-54-27-29-64-30-28-54)32-67-39-7-3-2-4-8-39/h2-20,31,34,37,45,52H,21-30,32H2,1H3,(H,53,56)(H,57,58)/t37-,45-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156385 (US9018381, 8 | US9248140, 8) Show SMILES CCN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156386 (US9018381, 9 | US9248140, 9) Show SMILES CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H49ClF3N4O10PS3/c1-52(27-28-63-64(56,57)58)24-23-35(30-65-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)66(59,60)45(47,48)49)67(61,62)51-44(55)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(54)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54H,21-28,30H2,1H3,(H,51,55)(H2,56,57,58)/t35-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156387 (US9018381, 10 | US9248140, 10) Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCOP(O)(O)=O)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H54ClF3N5O10PS3/c49-37-14-10-34(11-15-37)42-8-4-5-9-43(42)46(58)35-20-24-57(25-21-35)39-16-12-36(13-17-39)47(59)54-71(65,66)41-18-19-44(45(32-41)70(63,64)48(50,51)52)53-38(33-69-40-6-2-1-3-7-40)22-23-55-26-28-56(29-27-55)30-31-67-68(60,61)62/h1-19,32,35,38,46,53,58H,20-31,33H2,(H,54,59)(H2,60,61,62)/t38-,46-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156392 (US9018381, 15 | US9248140, 15) Show SMILES O[C@H](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/C46H48ClF3N4O7S3/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/h1-19,30,33,36,44,51,55H,20-29,31H2,(H,52,56)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156393 (US9018381, 16 | US9248140, 16) Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H48ClN5O7S2/c46-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(52)33-20-24-50(25-21-33)37-16-12-34(13-17-37)45(53)48-60(56,57)39-18-19-42(43(30-39)51(54)55)47-36(22-23-49-26-28-58-29-27-49)31-59-38-6-2-1-3-7-38/h1-19,30,33,36,44,47,52H,20-29,31H2,(H,48,53)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156394 (US9018381, 17 | US9018381, 18 | US9248140, 18) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156397 (US9018381, 20) Show SMILES CCN(CC)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42+,49-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030764 (CHEMBL3342187) Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1 Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of biotinylated BIM BH3 26-mer peptide binding to GST-tagged Bcl-xL (unknown origin) pre-incubated for 30 mins followed by peptide additio...				J Med Chem 60: 821-838 (2017) Article DOI: 10.1021/acs.jmedchem.5b01888 BindingDB Entry DOI: 10.7270/Q2ZC85BP
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50066761 (CHEMBL3400497) Show SMILES OC(=O)c1nc(sc1CCCCc1ccccc1)-c1ccc2CCC\C(=N/Nc3nc4ccccc4s3)c2c1 Show InChI InChI=1S/C31H28N4O2S2/c36-30(37)28-27(16-6-4-11-20-9-2-1-3-10-20)38-29(33-28)22-18-17-21-12-8-14-24(23(21)19-22)34-35-31-32-25-13-5-7-15-26(25)39-31/h1-3,5,7,9-10,13,15,17-19H,4,6,8,11-12,14,16H2,(H,32,35)(H,36,37)/b34-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay				Bioorg Med Chem 23: 1747-57 (2015) Article DOI: 10.1016/j.bmc.2015.02.060 BindingDB Entry DOI: 10.7270/Q2F191D6
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156383 (US9018381, 6 | US9248140, 6) Show SMILES O[C@H](CF)CN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C49H54ClF4N5O7S3/c50-37-14-10-34(11-15-37)43-8-4-5-9-44(43)47(61)35-20-24-59(25-21-35)39-16-12-36(13-17-39)48(62)56-69(65,66)42-18-19-45(46(30-42)68(63,64)49(52,53)54)55-38(33-67-41-6-2-1-3-7-41)22-23-57-26-28-58(29-27-57)32-40(60)31-51/h1-19,30,35,38,40,47,55,60-61H,20-29,31-33H2,(H,56,62)/t38-,40-,47-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156394 (US9018381, 17 | US9018381, 18 | US9248140, 18) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156405 (US9018381, 28 | US9248140, 28) Show SMILES CC(C)(C)OP(O)(=O)OCO[C@H](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/C51H59ClF3N4O11PS3/c1-50(2,3)70-71(61,62)69-35-68-48(45-12-8-7-11-44(45)36-13-17-39(52)18-14-36)37-23-27-59(28-24-37)41-19-15-38(16-20-41)49(60)57-74(65,66)43-21-22-46(47(33-43)73(63,64)51(53,54)55)56-40(25-26-58-29-31-67-32-30-58)34-72-42-9-5-4-6-10-42/h4-22,33,37,40,48,56H,23-32,34-35H2,1-3H3,(H,57,60)(H,61,62)/t40-,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156402 (US9018381, 25 | US9248140, 25) Show SMILES OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156401 (US9018381, 24 | US9248140, 24) Show SMILES OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50339781 (CHEMBL1689143 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:47| Show InChI InChI=1S/C45H53ClN8O4S2/c1-45(2)20-18-39(32-10-12-34(46)13-11-32)33(28-45)29-52-22-24-53(25-23-52)36-14-16-40-42(26-36)47-31-48-44(40)50-60(57,58)38-15-17-41(43(27-38)54(55)56)49-35(19-21-51(3)4)30-59-37-8-6-5-7-9-37/h5-17,26-27,31,35,49H,18-25,28-30H2,1-4H3,(H,47,48,50)/t35-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/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	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50030764 (CHEMBL3342187) Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCC\C(=N/Nc4nc5ccccc5s4)c3c2)cc1 Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay				Bioorg Med Chem 23: 1747-57 (2015) Article DOI: 10.1016/j.bmc.2015.02.060 BindingDB Entry DOI: 10.7270/Q2F191D6
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50339777 ((R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)pipera...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay				Bioorg Med Chem 23: 1747-57 (2015) Article DOI: 10.1016/j.bmc.2015.02.060 BindingDB Entry DOI: 10.7270/Q2F191D6
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156399 (US9018381, 22 | US9248140, 22) Show SMILES OC[C@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1 |r| Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50339783 (CHEMBL1689145 | N-(7-{4-[2-(4-Chloro-phenyl)-5,5-d...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:51| Show InChI InChI=1S/C46H53ClF3N7O4S3/c1-45(2)20-18-39(32-10-12-34(47)13-11-32)33(28-45)29-56-22-24-57(25-23-56)36-14-16-40-42(26-36)51-31-52-44(40)54-64(60,61)38-15-17-41(43(27-38)63(58,59)46(48,49)50)53-35(19-21-55(3)4)30-62-37-8-6-5-7-9-37/h5-17,26-27,31,35,53H,18-25,28-30H2,1-4H3,(H,51,52,54)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Walter and Eliza Hall Institute of Medical Research Curated by ChEMBL					Assay Description Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaSCREEN competitive assay				J Med Chem 54: 1914-26 (2011) Article DOI: 10.1021/jm101596e BindingDB Entry DOI: 10.7270/Q27P8ZP8
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156388 (US9018381, 11 | US9248140, 11) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H49ClF3N5O6S3/c1-53(27-28-55)24-23-35(30-61-37-7-3-2-4-8-37)51-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)52-44(56)33-13-17-36(18-14-33)54-25-21-32(22-26-54)43(50)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,51,55H,21-28,30,50H2,1H3,(H,52,56)/t35-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156389 (US9018381, 12 | US9248140, 12) Show SMILES CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](N)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H51ClF3N5O6S3/c1-2-54(28-29-56)25-24-36(31-62-38-8-4-3-5-9-38)52-42-21-20-39(30-43(42)63(58,59)46(48,49)50)64(60,61)53-45(57)34-14-18-37(19-15-34)55-26-22-33(23-27-55)44(51)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,52,56H,2,22-29,31,51H2,1H3,(H,53,57)/t36-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...				US Patent US9018381 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50388993 (CHEMBL2063896) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM611859 (2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4- (4-((6-(...) Show SMILES [O-][N+](=O)C1=CC(=CC2C1C=NN2CC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1 |c:5,10,t:3,52| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DR30M4
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020936 (CHEMBL3287299) Show SMILES OC(=O)c1nc(ccc1\C=C\Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H26N4O3S/c37-30(35-32-33-26-14-4-5-15-27(26)40-32)24-13-7-11-22-18-19-36(20-25(22)24)28-17-16-23(29(34-28)31(38)39)12-6-10-21-8-2-1-3-9-21/h1-9,11-17H,10,18-20H2,(H,38,39)(H,33,35,37)/b12-6+	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay				ACS Med Chem Lett 5: 662-7 (2014) Article DOI: 10.1021/ml500030p BindingDB Entry DOI: 10.7270/Q2KP83QG
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50448452 (CHEMBL3126119) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r| Show InChI InChI=1S/C47H46N6O8S2/c1-31-28-33(46(54)50-63(59,60)36-22-24-40(43(29-36)53(57)58)48-34(25-26-51(2)3)30-62-35-14-5-4-6-15-35)21-23-37(31)41-18-10-19-42-39(45(47(55)56)49-52(41)42)17-11-27-61-44-20-9-13-32-12-7-8-16-38(32)44/h4-10,12-16,18-24,28-29,34,48H,11,17,25-27,30H2,1-3H3,(H,50,54)(H,55,56)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Bioprojet-Biotech Curated by ChEMBL					Assay Description Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay				Bioorg Med Chem 23: 1747-57 (2015) Article DOI: 10.1016/j.bmc.2015.02.060 BindingDB Entry DOI: 10.7270/Q2F191D6
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50427827 (CHEMBL2325769) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C#N)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H49ClN8O4S2/c1-33-43(31-49)46(47(53(33)4)34-13-15-36(48)16-14-34)35-9-8-10-40(29-35)55-27-25-54(26-28-55)39-19-17-37(18-20-39)51-62(59,60)42-21-22-44(45(30-42)56(57)58)50-38(23-24-52(2)3)32-61-41-11-6-5-7-12-41/h5-22,29-30,38,50-51H,23-28,32H2,1-4H3/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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 56: 3048-67 (2013) Article DOI: 10.1021/jm4001105 BindingDB Entry DOI: 10.7270/Q2H41SSV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM156378 (US9018381, 3 | US9248140, 3) Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114184 BindingDB Entry DOI: 10.7270/Q2M049DT
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50519613 (CHEMBL4557431) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C150H232N48O42/c1-14-75(8)118(142(237)173-71-112(207)178-104(66-116(214)215)139(234)186-95(48-52-114(210)211)130(225)190-101(61-81-28-18-17-19-29-81)138(233)192-103(65-108(153)203)135(230)175-79(12)124(219)188-100(63-83-40-44-86(201)45-41-83)137(232)191-99(62-82-38-42-85(200)43-39-82)134(229)174-78(11)122(217)180-89(32-22-54-165-146(155)156)126(221)182-91(34-24-56-167-148(159)160)131(226)194-117(74(6)7)121(154)216)195-132(227)92(35-25-57-168-149(161)162)183-127(222)90(33-23-55-166-147(157)158)184-136(231)98(60-73(4)5)189-129(224)94(47-51-113(208)209)185-128(223)93(46-50-107(152)202)181-123(218)80(13)176-143(238)119(76(9)15-2)197-140(235)102(64-84-68-170-88-31-21-20-30-87(84)88)193-144(239)120(77(10)16-3)196-133(228)96(49-53-115(212)213)187-141(236)106-37-27-59-198(106)145(240)97(36-26-58-169-150(163)164)177-111(206)70-172-125(220)105(72-199)179-110(205)69-171-109(204)67-151/h17-21,28-31,38-45,68,73-80,89-106,117-120,170,199-201H,14-16,22-27,32-37,46-67,69-72,151H2,1-13H3,(H2,152,202)(H2,153,203)(H2,154,216)(H,171,204)(H,172,220)(H,173,237)(H,174,229)(H,175,230)(H,176,238)(H,177,206)(H,178,207)(H,179,205)(H,180,217)(H,181,218)(H,182,221)(H,183,222)(H,184,231)(H,185,223)(H,186,234)(H,187,236)(H,188,219)(H,189,224)(H,190,225)(H,191,232)(H,192,233)(H,193,239)(H,194,226)(H,195,227)(H,196,228)(H,197,235)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,155,156,165)(H4,157,158,166)(H4,159,160,167)(H4,161,162,168)(H4,163,164,169)/t75-,76-,77-,78-,79-,80-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106-,117-,118-,119-,120-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univiversit� Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin) by surface plasmon resonance assay				J Med Chem 63: 928-943 (2020) Article DOI: 10.1021/acs.jmedchem.9b00983 BindingDB Entry DOI: 10.7270/Q2CV4N4T
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50427825 (CHEMBL2325771) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 56: 3048-67 (2013) Article DOI: 10.1021/jm4001105 BindingDB Entry DOI: 10.7270/Q2H41SSV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50427815 (CHEMBL2325760) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47ClN6O7S2/c1-31-43(46(54)55)44(45(60-31)32-12-14-34(47)15-13-32)33-8-7-9-38(28-33)52-26-24-51(25-27-52)37-18-16-35(17-19-37)49-62(58,59)40-20-21-41(42(29-40)53(56)57)48-36(22-23-50(2)3)30-61-39-10-5-4-6-11-39/h4-21,28-29,36,48-49H,22-27,30H2,1-3H3,(H,54,55)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 56: 3048-67 (2013) Article DOI: 10.1021/jm4001105 BindingDB Entry DOI: 10.7270/Q2H41SSV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50393831 (CHEMBL2159740) Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...				J Med Chem 55: 6149-61 (2012) Article DOI: 10.1021/jm300608w BindingDB Entry DOI: 10.7270/Q2J10485
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50388984 (CHEMBL2063884) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50393831 (CHEMBL2159740) Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay				J Med Chem 56: 3048-67 (2013) Article DOI: 10.1021/jm4001105 BindingDB Entry DOI: 10.7270/Q2H41SSV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50388989 (CHEMBL2063892) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C54H65ClN10O5S2/c1-59(2)27-24-44(39-71-47-12-6-5-7-13-47)57-50-23-22-48(37-51(50)65(67)68)72(69,70)58-43-18-20-45(21-19-43)63-32-34-64(35-33-63)46-11-8-10-41(36-46)52-49(40-14-16-42(55)17-15-40)38-61(4)53(52)54(66)56-25-9-26-62-30-28-60(3)29-31-62/h5-8,10-23,36-38,44,57-58H,9,24-35,39H2,1-4H3,(H,56,66)/t44-/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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...				J Med Chem 55: 4664-82 (2012) Article DOI: 10.1021/jm300178u BindingDB Entry DOI: 10.7270/Q2862HHV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM232444 (US9346795, 258) Show SMILES CCCCc1c(c(CO)nn1-c1ccc(OCC(O)CO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(18.31,-1.57,;16.85,-2.05,;16.53,-3.55,;15.06,-4.03,;14.74,-5.53,;13.34,-6.16,;13.5,-7.69,;12.35,-8.72,;12.67,-10.23,;15,-8.01,;15.77,-6.68,;17.31,-6.52,;17.93,-5.11,;19.46,-4.95,;20.37,-6.2,;21.9,-6.03,;22.81,-7.28,;24.34,-7.12,;24.96,-5.71,;25.24,-8.36,;26.77,-8.2,;19.74,-7.6,;18.21,-7.76,;12,-5.39,;10.67,-6.16,;9.34,-5.39,;9.34,-3.85,;10.67,-3.08,;12,-3.85,;13.34,-3.08,;14.84,-3.4,;13.34,-1.54,;12,-.77,;12,.77,;13.34,1.54,;13.34,3.08,;14.67,3.85,;16,3.08,;16,1.54,;14.67,.77,;14.67,-.77,;8,-3.08,;8,-1.54,;6.67,-3.85,;5.33,-3.08,;4.56,-4.41,;6.1,-1.75,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,)| Show InChI InChI=1S/C44H44N4O8S/c1-2-3-12-41-42(40(27-50)45-48(41)34-15-17-36(18-16-34)56-28-35(51)26-49)38-20-14-32(24-39(38)44(53)47-22-21-30-9-5-7-11-33(30)25-47)43(52)46-57(54,55)37-19-13-29-8-4-6-10-31(29)23-37/h4-11,13-20,23-24,35,49-51H,2-3,12,21-22,25-28H2,1H3,(H,46,52)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.96	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 μl prepared from additions of Biotin-Bcl-xL (Bcl-x...				US Patent US9346795 (2016) BindingDB Entry DOI: 10.7270/Q2SF2V27
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50393834 (CHEMBL2159734) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NCCCN2CCN(C)CC2)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C56H67ClN10O6S2/c1-40-52(56(69)58-26-10-27-64-31-29-62(4)30-32-64)53(54(63(40)5)41-15-19-44(57)20-16-41)43-11-9-12-47(37-43)66-35-33-65(34-36-66)46-21-17-42(18-22-46)55(68)60-75(72,73)49-23-24-50(51(38-49)67(70)71)59-45(25-28-61(2)3)39-74-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,59H,10,25-36,39H2,1-5H3,(H,58,69)(H,60,68)/t45-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...				J Med Chem 55: 6149-61 (2012) Article DOI: 10.1021/jm300608w BindingDB Entry DOI: 10.7270/Q2J10485
					More data for this Ligand-Target Pair

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