Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'birlirakis' and Initial = 'n'   

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
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	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022583 (CHEMBL3298854) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O4/c24-19-9-4-12(10-20(19)25)2-1-3-14-15-7-8-16-17(23(26)27)6-5-13-11-18(14)22(15)21(13)16/h4-10,13-18,21-22,24-25H,1-3,11H2,(H,26,27)/t13-,14-,15-,16+,17-,18+,21-,22-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022622 (CHEMBL3299033) Show SMILES [H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7| Show InChI InChI=1S/C25H28O4/c26-15-8-6-14(7-9-15)4-2-1-3-5-16-17-10-11-18-20(25(28)29)13-22(27)21-12-19(16)23(17)24(18)21/h1-2,6-11,13,16-19,21-24,26-27H,3-5,12H2,(H,28,29)/b2-1+/t16-,17-,18+,19+,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022568 (CHEMBL3298853) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022568 (CHEMBL3298853) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50022567 (CHEMBL3298852) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C25H30O3/c26-17-9-6-15(7-10-17)4-2-1-3-5-18-19-12-13-20-21(25(27)28)11-8-16-14-22(18)24(19)23(16)20/h6-13,16,18-24,26H,1-5,14H2,(H,27,28)/t16-,18-,19-,20+,21-,22+,23-,24-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022567 (CHEMBL3298852) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C25H30O3/c26-17-9-6-15(7-10-17)4-2-1-3-5-18-19-12-13-20-21(25(27)28)11-8-16-14-22(18)24(19)23(16)20/h6-13,16,18-24,26H,1-5,14H2,(H,27,28)/t16-,18-,19-,20+,21-,22+,23-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022622 (CHEMBL3299033) Show SMILES [H][C@]12C[C@@]3([H])[C@@H](O)C=C(C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CC\C=C\Cc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:14,t:7| Show InChI InChI=1S/C25H28O4/c26-15-8-6-14(7-9-15)4-2-1-3-5-16-17-10-11-18-20(25(28)29)13-22(27)21-12-19(16)23(17)24(18)21/h1-2,6-11,13,16-19,21-24,26-27H,3-5,12H2,(H,28,29)/b2-1+/t16-,17-,18+,19+,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022583 (CHEMBL3298854) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)c(O)c1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O4/c24-19-9-4-12(10-20(19)25)2-1-3-14-15-7-8-16-17(23(26)27)6-5-13-11-18(14)22(15)21(13)16/h4-10,13-18,21-22,24-25H,1-3,11H2,(H,26,27)/t13-,14-,15-,16+,17-,18+,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022566 (CHEMBL3298851) Show SMILES [H][C@]12C[C@@]3([H])C=C[C@@H](C(O)=O)[C@]4([H])C=C[C@]([H])([C@H]1CCCc1ccc(O)cc1)[C@@]2([H])[C@]34[H] |r,c:5,13| Show InChI InChI=1S/C23H26O3/c24-15-7-4-13(5-8-15)2-1-3-16-17-10-11-18-19(23(25)26)9-6-14-12-20(16)22(17)21(14)18/h4-11,14,16-22,24H,1-3,12H2,(H,25,26)/t14-,16-,17-,18+,19-,20+,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50022655 (CHEMBL3299034) Show SMILES [H][C@@]12C[C@]3([H])[C@@H](\C=C\C(O)=O)[C@@]4([H])C=C[C@]3([H])[C@]1([H])[C@@]4([H])[C@H]2CCCc1ccc(O)cc1 |r,c:13,TLB:1:17:3.5:13.14,21:19:3.5:13.14,6:5:17.19:13.14,THB:2:3:17.19:13.14,14:15:1.2:19.5.11| Show InChI InChI=1S/C23H26O3/c24-14-6-4-13(5-7-14)2-1-3-16-20-12-19-15(10-11-21(25)26)17-8-9-18(19)23(20)22(16)17/h4-11,15-20,22-24H,1-3,12H2,(H,25,26)/b11-10+/t15-,16-,17+,18-,19+,20-,22-,23-/m0/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles (ICSN) Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay				J Nat Prod 77: 1430-7 (2014) Article DOI: 10.1021/np500170v BindingDB Entry DOI: 10.7270/Q2R212XF
					More data for this Ligand-Target Pair