Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50012911   

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))	BDBM209097 (US9266877, 43) Show SMILES Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H34N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h5-7,10-15,18,22H,2-4,8-9,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50162797 (CHEMBL3793424) Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50561528 (CHEMBL4762875) Show SMILES COC12CC3CC(CC(Cn4ncc(c4C)-c4ccc(nc4C(O)=O)N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)(C3)C1)C2 |TLB:1:2:5.4.47:7,5:6:4.3.47:48,THB:5:4:6.49.7:48,3:4:7:49.2.48,3:2:5.4.47:7| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209074 (US9266877, 20) Show SMILES Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18H,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209066 (US9266877, 12) Show SMILES Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)| Show InChI InChI=1S/C35H30N6O3S/c1-21-31(22(2)41(39-21)19-23-9-4-3-5-10-23)26-15-16-30(37-32(26)34(43)44)40-18-17-24-11-8-12-25(27(24)20-40)33(42)38-35-36-28-13-6-7-14-29(28)45-35/h3-16H,17-20H2,1-2H3,(H,43,44)(H,36,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209055 (US9266877, 1) Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H26N6O3S/c40-31(37-33-35-27-11-4-5-12-28(27)43-33)25-10-6-9-22-15-16-38(20-26(22)25)29-14-13-24(30(36-29)32(41)42)23-17-34-39(19-23)18-21-7-2-1-3-8-21/h1-14,17,19H,15-16,18,20H2,(H,41,42)(H,35,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209179 (US9266877, 125) Show SMILES OC(=O)c1nc(ccc1-c1ccn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H27N5O3S/c40-32(37-34-35-28-11-4-5-12-29(28)43-34)26-10-6-9-23-16-18-39(21-27(23)26)30-14-13-25(31(36-30)33(41)42)24-15-17-38(20-24)19-22-7-2-1-3-8-22/h1-15,17,20H,16,18-19,21H2,(H,41,42)(H,35,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.329	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209073 (US9266877, 19) Show SMILES Cc1nn(Cc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(20-40(38-21)18-22-8-3-2-4-9-22)24-14-15-30(36-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)19-39)32(41)37-34-35-28-12-5-6-13-29(28)44-34/h2-15,20H,16-19H2,1H3,(H,42,43)(H,35,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209056 (US9266877, 2) Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccncc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM209176 (US9266877, 122) Show SMILES OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H25N7O3S/c40-30(35-32-33-25-11-4-5-12-27(25)43-32)22-10-6-9-21-15-16-38(18-24(21)22)28-14-13-23(29(34-28)31(41)42)26-19-39(37-36-26)17-20-7-2-1-3-8-20/h1-14,19H,15-18H2,(H,41,42)(H,33,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50162797 (CHEMBL3793424) Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020933 (CHEMBL3287296) Show SMILES OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H28N4O4S/c37-30(35-32-33-26-13-4-5-14-27(26)41-32)24-12-6-8-21-17-18-36(20-25(21)24)28-16-15-22(29(34-28)31(38)39)9-7-19-40-23-10-2-1-3-11-23/h1-6,8,10-16H,7,9,17-20H2,(H,38,39)(H,33,35,37)	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	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209097 (US9266877, 43) Show SMILES Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H34N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h5-7,10-15,18,22H,2-4,8-9,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020930 (CHEMBL3287293) Show SMILES OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C21H16N4O3S2/c26-18(24-20-22-15-6-1-2-7-17(15)30-20)13-5-3-4-12-8-9-25(10-14(12)13)21-23-16(11-29-21)19(27)28/h1-7,11H,8-10H2,(H,27,28)(H,22,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209074 (US9266877, 20) Show SMILES Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18H,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209055 (US9266877, 1) Show SMILES OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H26N6O3S/c40-31(37-33-35-27-11-4-5-12-28(27)43-33)25-10-6-9-22-15-16-38(20-26(22)25)29-14-13-24(30(36-29)32(41)42)23-17-34-39(19-23)18-21-7-2-1-3-8-21/h1-14,17,19H,15-16,18,20H2,(H,41,42)(H,35,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209179 (US9266877, 125) Show SMILES OC(=O)c1nc(ccc1-c1ccn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H27N5O3S/c40-32(37-34-35-28-11-4-5-12-29(28)43-34)26-10-6-9-23-16-18-39(21-27(23)26)30-14-13-25(31(36-30)33(41)42)24-15-17-38(20-24)19-22-7-2-1-3-8-22/h1-15,17,20H,16,18-19,21H2,(H,41,42)(H,35,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50020929 (CHEMBL3287292) Show SMILES OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C23H18N4O3S/c28-21(26-23-25-17-7-1-2-9-19(17)31-23)15-6-3-5-14-11-12-27(13-16(14)15)20-10-4-8-18(24-20)22(29)30/h1-10H,11-13H2,(H,29,30)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209176 (US9266877, 122) Show SMILES OC(=O)c1nc(ccc1-c1cn(Cc2ccccc2)nn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H25N7O3S/c40-30(35-32-33-25-11-4-5-12-27(25)43-32)22-10-6-9-21-15-16-38(18-24(21)22)28-14-13-23(29(34-28)31(41)42)26-19-39(37-36-26)17-20-7-2-1-3-8-20/h1-14,19H,15-18H2,(H,41,42)(H,33,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209073 (US9266877, 19) Show SMILES Cc1nn(Cc2ccccc2)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(20-40(38-21)18-22-8-3-2-4-9-22)24-14-15-30(36-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)19-39)32(41)37-34-35-28-12-5-6-13-29(28)44-34/h2-15,20H,16-19H2,1H3,(H,42,43)(H,35,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM209066 (US9266877, 12) Show SMILES Cc1nn(Cc2ccccc2)c(C)c1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |(4.85,3.64,;3.82,4.79,;4.14,6.29,;2.8,7.06,;2.64,8.59,;3.89,9.5,;3.73,11.03,;4.97,11.94,;6.38,11.31,;6.54,9.78,;5.3,8.87,;1.66,6.03,;.33,6.8,;2.29,4.62,;1.52,3.29,;2.29,1.96,;1.52,.62,;-.02,.62,;-.79,1.96,;-.02,3.29,;-.79,4.62,;-.02,5.96,;-2.33,4.62,;-.79,-.71,;-2.33,-.71,;-3.1,-2.04,;-2.33,-3.38,;-3.1,-4.71,;-2.33,-6.05,;-.79,-6.05,;-.02,-4.71,;1.52,-4.71,;2.29,-3.38,;2.29,-6.05,;3.83,-6.05,;4.73,-4.8,;6.2,-5.28,;7.53,-4.51,;8.86,-5.28,;8.86,-6.82,;7.53,-7.59,;6.2,-6.82,;4.73,-7.29,;-.79,-3.38,;-.02,-2.04,)| Show InChI InChI=1S/C35H30N6O3S/c1-21-31(22(2)41(39-21)19-23-9-4-3-5-10-23)26-15-16-30(37-32(26)34(43)44)40-18-17-24-11-8-12-25(27(24)20-40)33(42)38-35-36-28-13-6-7-14-29(28)45-35/h3-16H,17-20H2,1-2H3,(H,43,44)(H,36,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	548	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50020933 (CHEMBL3287296) Show SMILES OC(=O)c1nc(ccc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C32H28N4O4S/c37-30(35-32-33-26-13-4-5-14-27(26)41-32)24-12-6-8-21-17-18-36(20-25(21)24)28-16-15-22(29(34-28)31(38)39)9-7-19-40-23-10-2-1-3-11-23/h1-6,8,10-16H,7,9,17-20H2,(H,38,39)(H,33,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	626	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FR...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D
					More data for this Ligand-Target Pair