Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 4205   

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 10 [11-204] (Homo sapiens (Human))	BDBM46299 (MLS000030575 | SMR000001198 | cid_650929) Show SMILES O=c1c2c(-c3ccccc3CC22CCCC2)n2nnnc2n1Cc1ccccc1 Show InChI InChI=1S/C23H21N5O/c29-21-19-20(18-11-5-4-10-17(18)14-23(19)12-6-7-13-23)28-22(24-25-26-28)27(21)15-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM46302 (MLS000083668 | SMR000047693 | cid_666339) Show SMILES O=C1NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCCCCC23)C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C26H25N5O4/c32-22-18-15-26(23(33)28-25(35)31(24(26)34)16-17-9-3-1-4-10-17)19-11-5-2-7-13-29(19)21(18)27-20-12-6-8-14-30(20)22/h1,3-4,6,8-10,12,14,19H,2,5,7,11,13,15-16H2,(H,28,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM32275 ((4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-py...) Show SMILES Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C13H15ClN6O/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33183 (5-[[5-(5-chloranyl-2-nitro-phenyl)furan-2-yl]methy...) Show SMILES [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O Show InChI InChI=1S/C15H8ClN3O6/c16-7-1-3-11(19(23)24)9(5-7)12-4-2-8(25-12)6-10-13(20)17-15(22)18-14(10)21/h1-6H,(H2-,17,18,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33168 (MLS000708356 | N-[5-[(4-chloranylphenoxy)methyl]-1...) Show SMILES Clc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1 Show InChI InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)21-8-12-17-18-14(22-12)16-13(19)11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM54714 (3-chloranyl-4-[(1,5-dimethyl-3-oxidanylidene-2-phe...) Show SMILES COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O Show InChI InChI=1S/C22H21ClN4O4/c1-13-18(22(30)27(25(13)2)15-7-5-4-6-8-15)24-19-17(23)20(28)26(21(19)29)14-9-11-16(31-3)12-10-14/h4-12,24,28-29H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33101 (1,5-diphenyl-1H-imidazole-2-thiol | 1,5-diphenyl-4...) Show SMILES S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1 Show InChI InChI=1S/C15H12N2S/c18-15-16-11-14(12-7-3-1-4-8-12)17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33087 (2,3-bis(2-furanyl)-N-(phenylmethyl)-6-quinoxalinec...) Show SMILES O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C24H17N3O3/c28-24(25-15-16-6-2-1-3-7-16)17-10-11-18-19(14-17)27-23(21-9-5-13-30-21)22(26-18)20-8-4-12-29-20/h1-14H,15H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33165 (3-chloranyl-4-(3-methoxyphenoxy)-1-(4-methoxypheny...) Show SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13| Show InChI InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33198 (MLS001001946 | N-[4-(4-phenyl-2-thioxo-4-imidazoli...) Show SMILES CC(=O)Nc1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33128 (2-bromanyl-N-[4-(diethylamino)-3-[(2-methoxyphenyl...) Show SMILES CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC Show InChI InChI=1S/C24H26BrN3O4S/c1-4-28(5-2)21-15-14-17(26-24(29)18-10-6-7-11-19(18)25)16-23(21)33(30,31)27-20-12-8-9-13-22(20)32-3/h6-16,27H,4-5H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.66E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33197 (1-(2-methoxyphenyl)-5-phenyl-4-imidazoline-2-thion...) Show SMILES COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)| Show InChI InChI=1S/C16H14N2OS/c1-19-15-10-6-5-9-13(15)18-14(11-17-16(18)20)12-7-3-2-4-8-12/h2-11H,1H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM30741 (2-amino-6-(4-chlorophenyl)-4-(5-methyl-3-furanyl)-...) Show SMILES Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClN3O/c1-10-6-12(9-22-10)14-7-16(21-17(20)15(14)8-19)11-2-4-13(18)5-3-11/h2-7,9H,1H3,(H2,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM43203 (2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl...) Show SMILES Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6| Show InChI InChI=1S/C22H18ClN5O2S/c1-15-7-12-19(30-15)13-24-25-20(29)14-31-22-27-26-21(16-8-10-17(23)11-9-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair
Bcl-2-like protein 10 [11-204] (Homo sapiens (Human))	BDBM33173 ((5E)-5-(2-furanylmethylidene)-3-phenyl-2-sulfanyli...) Show SMILES O=C1N(C(=S)NC1=Cc1ccco1)c1ccccc1 |w:7.8| Show InChI InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)15-14(19)16(13)10-5-2-1-3-6-10/h1-9H,(H,15,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NG4P21
					More data for this Ligand-Target Pair