Compile Data Set for Download or QSAR

Found 479 hits with Last Name = 'kong' and Initial = 'f'   

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
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9| Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9| Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9| Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM261686 (US9708295, 27) Show SMILES COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	35.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [G1269S] (Homo sapiens (Human))	BDBM261686 (US9708295, 27) Show SMILES COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	61.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [G1269S] (Homo sapiens (Human))	BDBM261689 (US9708295, 30) Show SMILES COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9| Show InChI InChI=1S/C24H23Cl2FN4O2/c1-13(21-17(25)3-4-18(27)22(21)26)33-20-10-16(12-31-24(20)28)15-9-19(32-2)23(30-11-15)14-5-7-29-8-6-14/h3-5,9-13,29H,6-8H2,1-2H3,(H2,28,31)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	93.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [G1269S] (Homo sapiens (Human))	BDBM261711 (US9708295, 53) Show SMILES CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C25H28Cl2FN5O2/c1-4-34-20-10-22(33-8-7-30-11-14(33)2)31-13-17(20)16-9-21(25(29)32-12-16)35-15(3)23-18(26)5-6-19(28)24(23)27/h5-6,9-10,12-15,30H,4,7-8,11H2,1-3H3,(H2,29,32)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; Centaurus Biopharma Co., Ltd.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent									US Patent US9708295 (2017) BindingDB Entry DOI: 10.7270/Q2GM899Z
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372177 (CHEMBL404899) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372180 (CHEMBL270646) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C42H36N2O9S4/c45-37-35(56-41(54)43(37)33(39(47)48)23-27-7-3-1-4-8-27)25-29-11-15-31(16-12-29)52-21-19-51-20-22-53-32-17-13-30(14-18-32)26-36-38(46)44(42(55)57-36)34(40(49)50)24-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-24H2,(H,47,48)(H,49,50)/b35-25-,36-26-/t33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372180 (CHEMBL270646) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C42H36N2O9S4/c45-37-35(56-41(54)43(37)33(39(47)48)23-27-7-3-1-4-8-27)25-29-11-15-31(16-12-29)52-21-19-51-20-22-53-32-17-13-30(14-18-32)26-36-38(46)44(42(55)57-36)34(40(49)50)24-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-24H2,(H,47,48)(H,49,50)/b35-25-,36-26-/t33-,34-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372178 (CHEMBL406312) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372180 (CHEMBL270646) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C42H36N2O9S4/c45-37-35(56-41(54)43(37)33(39(47)48)23-27-7-3-1-4-8-27)25-29-11-15-31(16-12-29)52-21-19-51-20-22-53-32-17-13-30(14-18-32)26-36-38(46)44(42(55)57-36)34(40(49)50)24-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-24H2,(H,47,48)(H,49,50)/b35-25-,36-26-/t33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50202277 ((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372176 (CHEMBL272974) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C44H40N2O10S4/c47-39-37(59-43(57)45(39)35(41(49)50)25-29-7-3-1-4-8-29)27-31-11-15-33(16-12-31)55-23-21-53-19-20-54-22-24-56-34-17-13-32(14-18-34)28-38-40(48)46(44(58)60-38)36(42(51)52)26-30-9-5-2-6-10-30/h1-18,27-28,35-36H,19-26H2,(H,49,50)(H,51,52)/b37-27-,38-28-/t35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372176 (CHEMBL272974) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C44H40N2O10S4/c47-39-37(59-43(57)45(39)35(41(49)50)25-29-7-3-1-4-8-29)27-31-11-15-33(16-12-31)55-23-21-53-19-20-54-22-24-56-34-17-13-32(14-18-34)28-38-40(48)46(44(58)60-38)36(42(51)52)26-30-9-5-2-6-10-30/h1-18,27-28,35-36H,19-26H2,(H,49,50)(H,51,52)/b37-27-,38-28-/t35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50202277 ((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372176 (CHEMBL272974) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C44H40N2O10S4/c47-39-37(59-43(57)45(39)35(41(49)50)25-29-7-3-1-4-8-29)27-31-11-15-33(16-12-31)55-23-21-53-19-20-54-22-24-56-34-17-13-32(14-18-34)28-38-40(48)46(44(58)60-38)36(42(51)52)26-30-9-5-2-6-10-30/h1-18,27-28,35-36H,19-26H2,(H,49,50)(H,51,52)/b37-27-,38-28-/t35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50202277 ((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372173 (CHEMBL404644) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C43H38N2O8S4/c1-3-50-40(48)34(23-28-11-7-5-8-12-28)44-38(46)36(56-42(44)54)25-30-15-19-32(20-16-30)52-27-53-33-21-17-31(18-22-33)26-37-39(47)45(43(55)57-37)35(41(49)51-4-2)24-29-13-9-6-10-14-29/h5-22,25-26,34-35H,3-4,23-24,27H2,1-2H3/b36-25-,37-26-/t34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372173 (CHEMBL404644) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C43H38N2O8S4/c1-3-50-40(48)34(23-28-11-7-5-8-12-28)44-38(46)36(56-42(44)54)25-30-15-19-32(20-16-30)52-27-53-33-21-17-31(18-22-33)26-37-39(47)45(43(55)57-37)35(41(49)51-4-2)24-29-13-9-6-10-14-29/h5-22,25-26,34-35H,3-4,23-24,27H2,1-2H3/b36-25-,37-26-/t34-,35-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372175 (CHEMBL272110) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C40H30Br2N2O6S4/c41-29-15-11-27(12-16-29)23-33-35(45)43(39(51)53-33)31(21-25-7-3-1-4-8-25)37(47)49-19-20-50-38(48)32(22-26-9-5-2-6-10-26)44-36(46)34(54-40(44)52)24-28-13-17-30(42)18-14-28/h1-18,23-24,31-32H,19-22H2/b33-23-,34-24-/t31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl-2-like protein 2 (Homo sapiens (Human))	BDBM50372172 (CHEMBL257687) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C21H18BrNO3S2/c1-2-26-20(25)17(12-14-6-4-3-5-7-14)23-19(24)18(28-21(23)27)13-15-8-10-16(22)11-9-15/h3-11,13,17H,2,12H2,1H3/b18-13-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-w				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372175 (CHEMBL272110) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C40H30Br2N2O6S4/c41-29-15-11-27(12-16-29)23-33-35(45)43(39(51)53-33)31(21-25-7-3-1-4-8-25)37(47)49-19-20-50-38(48)32(22-26-9-5-2-6-10-26)44-36(46)34(54-40(44)52)24-28-13-17-30(42)18-14-28/h1-18,23-24,31-32H,19-22H2/b33-23-,34-24-/t31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372174 (CHEMBL256858) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Bcl2-associated agonist of cell death (Homo sapiens (Human))	BDBM50372172 (CHEMBL257687) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C21H18BrNO3S2/c1-2-26-20(25)17(12-14-6-4-3-5-7-14)23-19(24)18(28-21(23)27)13-15-8-10-16(22)11-9-15/h3-11,13,17H,2,12H2,1H3/b18-13-/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl-Xl				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372173 (CHEMBL404644) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C43H38N2O8S4/c1-3-50-40(48)34(23-28-11-7-5-8-12-28)44-38(46)36(56-42(44)54)25-30-15-19-32(20-16-30)52-27-53-33-21-17-31(18-22-33)26-37-39(47)45(43(55)57-37)35(41(49)51-4-2)24-29-13-9-6-10-14-29/h5-22,25-26,34-35H,3-4,23-24,27H2,1-2H3/b36-25-,37-26-/t34-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372175 (CHEMBL272110) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C40H30Br2N2O6S4/c41-29-15-11-27(12-16-29)23-33-35(45)43(39(51)53-33)31(21-25-7-3-1-4-8-25)37(47)49-19-20-50-38(48)32(22-26-9-5-2-6-10-26)44-36(46)34(54-40(44)52)24-28-13-17-30(42)18-14-28/h1-18,23-24,31-32H,19-22H2/b33-23-,34-24-/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372172 (CHEMBL257687) Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C21H18BrNO3S2/c1-2-26-20(25)17(12-14-6-4-3-5-7-14)23-19(24)18(28-21(23)27)13-15-8-10-16(22)11-9-15/h3-11,13,17H,2,12H2,1H3/b18-13-/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50372179 (CHEMBL402066) Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Minneapolis Curated by ChEMBL					Assay Description Inhibition of Bak peptide binding to human recombinant Bcl2				Bioorg Med Chem Lett 18: 236-40 (2008) Article DOI: 10.1016/j.bmcl.2007.10.088 BindingDB Entry DOI: 10.7270/Q2WM1F7S
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM330411 ( N4-(3-acetylphenyl)-N6-(1-acryloylazetidin-3-yl)-...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C(C)=O)c2cc1NC1CN(C1)C(=O)C=C Show InChI InChI=1S/C23H23N5O3/c1-4-22(30)28-11-17(12-28)26-20-9-18-19(10-21(20)31-3)24-13-25-23(18)27-16-7-5-6-15(8-16)14(2)29/h4-10,13,17,26H,1,11-12H2,2-3H3,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent					Assay Description EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...				US Patent US9725439 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515356 ((13E,14E,22R,24S)-12-amino-24,35- difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM330400 (N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H23ClFN5O2/c1-3-22(31)30-8-6-14(7-9-30)28-20-11-16-19(12-21(20)32-2)26-13-27-23(16)29-15-4-5-18(25)17(24)10-15/h3-5,10-14,28H,1,6-9H2,2H3,(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent					Assay Description EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...				US Patent US9725439 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM330415 (N6-(1-acryloylpiperidin-4-yl)-N4-(3-chloro-4-fluor...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C25H27ClFN5O3/c1-3-24(33)32-8-6-16(7-9-32)30-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)31-17-4-5-20(27)19(26)12-17/h3-5,12-16,30H,1,6-11H2,2H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent					Assay Description EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...				US Patent US9725439 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM330401 ((S)—N6-(1-acryloylazetidin-3-yl)-N4-(3-chloro...) Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC4CN(C4)C(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H23ClFN5O3/c1-2-23(32)31-10-15(11-31)29-21-8-17-20(9-22(21)34-16-5-6-33-12-16)27-13-28-24(17)30-14-3-4-19(26)18(25)7-14/h2-4,7-9,13,15-16,29H,1,5-6,10-12H2,(H,27,28,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD.; CENTAURUS BIOPHARMA CO., LTD.; LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. US Patent					Assay Description EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus B...				US Patent US9725439 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZQ9
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515377 ((13E,14E,22R,24S)-12-amino- 24,35-difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ccc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515368 ((13E,14E,22R,24S)-12-amino- 24,35-difluoro-7-aza-1...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515357 ((13E,14E,22R,24S,5S)-12-amino-24,35-difluoro- 5-me...) Show SMILES C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515367 (US11098060, Example 26) Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515365 (US11098060, Example 23) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc([C@H]2C[C@H](F)CN32)c1=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair

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