Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50042454   

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))	BDBM50426420 (CHEMBL2322027) Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3	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
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426417 (CHEMBL2326745) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/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
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426417 (CHEMBL2326745) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/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	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426421 (CHEMBL2322026) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426418 (CHEMBL2326744) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426416 (CHEMBL2326746) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1	PDB UniProtKB/SwissProt 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
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/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	62	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426423 (CHEMBL2322024) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1cccc2cc(cnc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClN7O4S2/c1-49(2)22-21-36(31-57-38-11-4-3-5-12-38)47-41-20-19-39(28-43(41)52(53)54)58(55,56)48-42-14-8-10-33-27-37(29-46-44(33)42)51-25-23-50(24-26-51)30-34-9-6-7-13-40(34)32-15-17-35(45)18-16-32/h3-20,27-29,36,47-48H,21-26,30-31H2,1-2H3/t36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426416 (CHEMBL2326746) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/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	115	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL/BAK (unknown origin) interaction				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426419 (CHEMBL2322029) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1ncnc2CN(Cc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C45H49ClF3N7O5S3/c46-34-12-10-32(11-13-34)39-9-5-4-6-33(39)27-55-20-17-36(18-21-55)56-28-40-42(29-56)50-31-51-44(40)53-64(59,60)38-14-15-41(43(26-38)63(57,58)45(47,48)49)52-35(16-19-54-22-24-61-25-23-54)30-62-37-7-2-1-3-8-37/h1-15,26,31,35-36,52H,16-25,27-30H2,(H,50,51,53)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426424 (CHEMBL2322023) Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)Nc1cccc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C47H49ClN6O5S2/c48-38-15-13-35(14-16-38)43-11-5-4-7-37(43)33-52-23-25-53(26-24-52)40-17-19-44-36(31-40)8-6-12-45(44)50-61(57,58)42-18-20-46(47(32-42)54(55)56)49-39(21-22-51-27-29-59-30-28-51)34-60-41-9-2-1-3-10-41/h1-20,31-32,39,49-50H,21-30,33-34H2/t39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426422 (CHEMBL2322025) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nn(C)c2nc(ncc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C41H45ClN10O4S2/c1-48(2)20-19-32(28-57-33-10-5-4-6-11-33)44-37-18-17-34(25-38(37)52(53)54)58(55,56)47-39-36-26-43-41(45-40(36)49(3)46-39)51-23-21-50(22-24-51)27-30-9-7-8-12-35(30)29-13-15-31(42)16-14-29/h4-18,25-26,32,44H,19-24,27-28H2,1-3H3,(H,46,47)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426421 (CHEMBL2322026) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1nnc2cc(cnn12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C40H43ClN10O4S2/c1-47(2)19-18-32(28-56-34-9-4-3-5-10-34)43-37-17-16-35(25-38(37)51(52)53)57(54,55)46-40-45-44-39-24-33(26-42-50(39)40)49-22-20-48(21-23-49)27-30-8-6-7-11-36(30)29-12-14-31(41)15-13-29/h3-17,24-26,32,43H,18-23,27-28H2,1-2H3,(H,45,46)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426420 (CHEMBL2322027) Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C+]1[N-]S(=O)(=O)c2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44-45H,20-25,28-29H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426418 (CHEMBL2326744) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2CCN(CCn12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C43H50ClF3N8O4S3/c1-52(2)22-18-34(30-60-36-9-4-3-5-10-36)48-39-17-16-37(28-40(39)61(56,57)43(45,46)47)62(58,59)51-42-50-49-41-21-25-54(26-27-55(41)42)35-19-23-53(24-20-35)29-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-17,28,34-35,48H,18-27,29-30H2,1-2H3,(H,50,51)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426417 (CHEMBL2326745) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H49ClF3N7O4S3/c1-53(2)22-18-34(29-60-36-9-4-3-5-10-36)51-40-17-16-37(26-42(40)61(56,57)44(46,47)48)62(58,59)52-43-39-21-25-55(28-41(39)49-30-50-43)35-19-23-54(24-20-35)27-32-8-6-7-11-38(32)31-12-14-33(45)15-13-31/h3-17,26,30,34-35,51H,18-25,27-29H2,1-2H3,(H,49,50,52)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426416 (CHEMBL2326746) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2CN(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48ClF4N7O4S3/c1-54(2)20-16-34(28-61-36-6-4-3-5-7-36)52-40-15-13-37(25-42(40)62(57,58)44(47,48)49)63(59,60)53-43-39-19-23-56(27-41(39)50-29-51-43)35-17-21-55(22-18-35)26-31-24-33(46)12-14-38(31)30-8-10-32(45)11-9-30/h3-15,24-25,29,34-35,52H,16-23,26-28H2,1-2H3,(H,50,51,53)/t34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426415 (CHEMBL2326747) Show SMILES CC(N1CCC(CC1)N1CCc2c(C1)ncnc2NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H51ClF3N7O4S3/c1-31(38-11-7-8-12-39(38)32-13-15-33(46)16-14-32)55-24-20-35(21-25-55)56-26-22-40-42(28-56)50-30-51-44(40)53-63(59,60)37-17-18-41(43(27-37)62(57,58)45(47,48)49)52-34(19-23-54(2)3)29-61-36-9-5-4-6-10-36/h4-18,27,30-31,34-35,52H,19-26,28-29H2,1-3H3,(H,50,51,53)/t31?,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426414 (CHEMBL2322020) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ncnc2C(=O)N(CCc12)C1CCN(Cc2cc(F)ccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H46ClF4N7O5S3/c1-54(2)20-16-33(27-62-35-6-4-3-5-7-35)52-39-15-13-36(25-40(39)63(58,59)44(47,48)49)64(60,61)53-42-38-19-23-56(43(57)41(38)50-28-51-42)34-17-21-55(22-18-34)26-30-24-32(46)12-14-37(30)29-8-10-31(45)11-9-29/h3-15,24-25,28,33-34,52H,16-23,26-27H2,1-2H3,(H,50,51,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426413 (CHEMBL2322021) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(Cl)nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50426412 (CHEMBL2322022) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nc(nc2CN(CCc12)C1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1)C(F)(F)F |r| Show InChI InChI=1S/C45H48ClF6N7O4S3/c1-57(2)22-18-33(29-64-35-9-4-3-5-10-35)53-39-17-16-36(26-41(39)65(60,61)45(50,51)52)66(62,63)56-42-38-21-25-59(28-40(38)54-43(55-42)44(47,48)49)34-19-23-58(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(46)15-13-30/h3-17,26,33-34,53H,18-25,27-29H2,1-2H3,(H,54,55,56)/t33-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Inc. Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis				ACS Med Chem Lett 4: 186-90 (2013) Article DOI: 10.1021/ml300321d BindingDB Entry DOI: 10.7270/Q2XS5WRF
					More data for this Ligand-Target Pair