Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50047465   

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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169049 (CHEMBL3806155 | US10442808, Example 1 | US9815842,...) Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(c2)C(F)(F)F)-n2nccn2)cnc2cc(Cl)nn12 |r| Show InChI InChI=1S/C18H15ClF3N9O2/c1-9(33-2)15-12(8-23-14-6-13(19)29-30(14)15)28-17(32)27-10-5-11(18(20,21)22)16(24-7-10)31-25-3-4-26-31/h3-9H,1-2H3,(H2,27,28,32)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169052 (CHEMBL3806235 | US10442808, Example 54 | US9815842...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCCO2)cnc1-n1nccn1 Show InChI InChI=1S/C19H15ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h3-4,6-9,13H,1-2,5H2,(H2,28,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169054 (CHEMBL3805390) Show SMILES COCC(C1CC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 Show InChI InChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169051 (CHEMBL3805576 | US10442808, Example 27 | US9815842...) Show SMILES CC(C)c1c(NC(=O)Nc2cnc(N3CCCS3(=O)=O)c(c2)C(F)(F)F)cnc2cc(Cl)nn12 Show InChI InChI=1S/C19H19ClF3N7O3S/c1-10(2)16-13(9-24-15-7-14(20)28-30(15)16)27-18(31)26-11-6-12(19(21,22)23)17(25-8-11)29-4-3-5-34(29,32)33/h6-10H,3-5H2,1-2H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169055 (CHEMBL3806299) Show SMILES CC(C)c1c(NC(=O)Nc2ccc(c(Cl)c2)-n2cc(CN)cn2)cnc2cc(Cl)nn12 Show InChI InChI=1S/C20H20Cl2N8O/c1-11(2)19-15(9-24-18-6-17(22)28-30(18)19)27-20(31)26-13-3-4-16(14(21)5-13)29-10-12(7-23)8-25-29/h3-6,8-11H,7,23H2,1-2H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169050 (CHEMBL3806279) Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cncc(c2)C(F)(F)F)cnc2cc(C)nn12 |r| Show InChI InChI=1S/C17H17F3N6O2/c1-9-4-14-22-8-13(15(10(2)28-3)26(14)25-9)24-16(27)23-12-5-11(6-21-7-12)17(18,19)20/h4-8,10H,1-3H3,(H2,23,24,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins ...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169049 (CHEMBL3806155 | US10442808, Example 1 | US9815842,...) Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(c2)C(F)(F)F)-n2nccn2)cnc2cc(Cl)nn12 |r| Show InChI InChI=1S/C18H15ClF3N9O2/c1-9(33-2)15-12(8-23-14-6-13(19)29-30(14)15)28-17(32)27-10-5-11(18(20,21)22)16(24-7-10)31-25-3-4-26-31/h3-9H,1-2H3,(H2,27,28,32)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169054 (CHEMBL3805390) Show SMILES COCC(C1CC1)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 Show InChI InChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169050 (CHEMBL3806279) Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cncc(c2)C(F)(F)F)cnc2cc(C)nn12 |r| Show InChI InChI=1S/C17H17F3N6O2/c1-9-4-14-22-8-13(15(10(2)28-3)26(14)25-9)24-16(27)23-12-5-11(6-21-7-12)17(18,19)20/h4-8,10H,1-3H3,(H2,23,24,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169052 (CHEMBL3806235 | US10442808, Example 54 | US9815842...) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cnc3cc(Cl)nn3c2C2CCCO2)cnc1-n1nccn1 Show InChI InChI=1S/C19H15ClF3N9O2/c20-14-7-15-24-9-12(16(31(15)30-14)13-2-1-5-34-13)29-18(33)28-10-6-11(19(21,22)23)17(25-8-10)32-26-3-4-27-32/h3-4,6-9,13H,1-2,5H2,(H2,28,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0940	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169055 (CHEMBL3806299) Show SMILES CC(C)c1c(NC(=O)Nc2ccc(c(Cl)c2)-n2cc(CN)cn2)cnc2cc(Cl)nn12 Show InChI InChI=1S/C20H20Cl2N8O/c1-11(2)19-15(9-24-18-6-17(22)28-30(18)19)27-20(31)26-13-3-4-16(14(21)5-13)29-10-12(7-23)8-25-29/h3-6,8-11H,7,23H2,1-2H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.134	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50169051 (CHEMBL3805576 | US10442808, Example 27 | US9815842...) Show SMILES CC(C)c1c(NC(=O)Nc2cnc(N3CCCS3(=O)=O)c(c2)C(F)(F)F)cnc2cc(Cl)nn12 Show InChI InChI=1S/C19H19ClF3N7O3S/c1-10(2)16-13(9-24-15-7-14(20)28-30(15)16)27-18(31)26-11-6-12(19(21,22)23)17(25-8-11)29-4-3-5-34(29,32)33/h6-10H,3-5H2,1-2H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.248	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed b...				ACS Med Chem Lett 7: 205-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00015 BindingDB Entry DOI: 10.7270/Q2K07658
					More data for this Ligand-Target Pair