Compile Data Set for Download or QSAR

Found 600 hits with Last Name = 'scott' and Initial = 'da'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM423466 (WO2006061714, P39.1 | WO2006061714-ID-11 | cmdc.20...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453058 (US10711036, Compound 116) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O4/c1-14(2)20(31-21(34)15-7-9-16(25)10-8-15)23(36)32-12-4-6-18(32)22(35)30-17(19(33)13-26)5-3-11-29-24(27)28/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453106 (US10711036, Compound 160) Show SMILES CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34F2N6O4/c1-14(2)20(31-21(34)15-7-9-16(26)10-8-15)23(36)32-12-4-6-18(32)22(35)30-17(19(33)13-25)5-3-11-29-24(27)28/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453091 (US10711036, Compound 146) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)c(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H33BrFN7O4/c1-14(2)21(33-22(36)15-7-8-17(26)16(11-15)13-28)24(38)34-10-4-6-19(34)23(37)32-18(20(35)12-27)5-3-9-31-25(29)30/h7-8,11,14,18-19,21H,3-6,9-10,12H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442754 (MPI4) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C29H36N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,17,19,22-25H,13-16,18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453094 (US10711036, Compound 148) Show SMILES CC(C)[C@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34F4N6O5/c1-14(2)20(34-21(37)15-6-3-7-16(12-15)40-25(27,28)29)23(39)35-11-5-9-18(35)22(38)33-17(19(36)13-26)8-4-10-32-24(30)31/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,33,38)(H,34,37)(H4,30,31,32)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453124 (US10711036, Compound 174) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1COC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C23H32BrFN6O5/c1-13(2)19(30-20(33)14-5-7-15(24)8-6-14)22(35)31-12-36-11-17(31)21(34)29-16(18(32)10-25)4-3-9-28-23(26)27/h5-8,13,16-17,19H,3-4,9-12H2,1-2H3,(H,29,34)(H,30,33)(H4,26,27,28)/t16-,17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453119 (US10711036, Compound 169) Show SMILES CC(C)[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-6-3-7-17(26)12-16)23(36)33-11-5-9-19(33)22(35)31-18(20(34)13-27)8-4-10-30-24(28)29/h3,6-7,12,15,18-19,21H,4-5,8-11,13-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453112 (US10711036, Compound 163) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C27H41FN6O4/c1-16(2)18-9-11-19(12-10-18)24(36)33-23(17(3)4)26(38)34-14-6-8-21(34)25(37)32-20(22(35)15-28)7-5-13-31-27(29)30/h9-12,16-17,20-21,23H,5-8,13-15H2,1-4H3,(H,32,37)(H,33,36)(H4,29,30,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453116 (US10711036, Compound 167) Show SMILES CC(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35ClFN7O4/c1-14(2)20(32-24(37)31-16-8-4-3-7-15(16)25)22(36)33-12-6-10-18(33)21(35)30-17(19(34)13-26)9-5-11-29-23(27)28/h3-4,7-8,14,17-18,20H,5-6,9-13H2,1-2H3,(H,30,35)(H4,27,28,29)(H2,31,32,37)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453093 (US10711036, Compound 147) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Cl)c(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H33ClFN7O4/c1-14(2)21(33-22(36)15-7-8-17(26)16(11-15)13-28)24(38)34-10-4-6-19(34)23(37)32-18(20(35)12-27)5-3-9-31-25(29)30/h7-8,11,14,18-19,21H,3-6,9-10,12H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453089 (US10711036, Compound 145) Show SMILES CC(C)[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34F4N6O5/c1-14(2)20(34-21(37)15-7-9-16(10-8-15)40-25(27,28)29)23(39)35-12-4-6-18(35)22(38)33-17(19(36)13-26)5-3-11-32-24(30)31/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,33,38)(H,34,37)(H4,30,31,32)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453120 (US10711036, Compound 170) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-7-3-4-8-17(16)26)23(36)33-12-6-10-19(33)22(35)31-18(20(34)13-27)9-5-11-30-24(28)29/h3-4,7-8,15,18-19,21H,5-6,9-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453114 (US10711036, Compound 165) Show SMILES CC(C)[C@H](NC(=O)Nc1cccc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35ClFN7O4/c1-14(2)20(32-24(37)30-16-7-3-6-15(25)12-16)22(36)33-11-5-9-18(33)21(35)31-17(19(34)13-26)8-4-10-29-23(27)28/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,31,35)(H4,27,28,29)(H2,30,32,37)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453127 (US10711036, Compound 177) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF)C#N |r| Show InChI InChI=1S/C25H33BrFN7O4/c1-14(2)21(33-22(36)16-5-7-17(26)8-6-16)24(38)34-13-15(12-28)10-19(34)23(37)32-18(20(35)11-27)4-3-9-31-25(29)30/h5-8,14-15,18-19,21H,3-4,9-11,13H2,1-2H3,(H,32,37)(H,33,36)(H4,29,30,31)/t15-,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM419133 (BDBM429386 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	30	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420296 (Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	30	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453083 (US10711036, Compound 137) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C30H39FN6O4/c1-19(2)26(36-27(39)22-14-12-21(13-15-22)20-8-4-3-5-9-20)29(41)37-17-7-11-24(37)28(40)35-23(25(38)18-31)10-6-16-34-30(32)33/h3-5,8-9,12-15,19,23-24,26H,6-7,10-11,16-18H2,1-2H3,(H,35,40)(H,36,39)(H4,32,33,34)/t23-,24-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453130 (US10711036, Compound 180) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-3-17(2)22(32-26(37)38-16-18-9-5-4-6-10-18)24(36)33-14-8-12-20(33)23(35)31-19(21(34)15-27)11-7-13-30-25(28)29/h4-6,9-10,17,19-20,22H,3,7-8,11-16H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t17?,19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442755 (MPI5) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C29H42N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,17,19-20,22-25H,3,5-6,9-10,13-16,18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453118 (US10711036, Compound 168) Show SMILES CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36ClFN6O5/c1-15(2)21(32-25(37)38-14-16-7-9-17(26)10-8-16)23(36)33-12-4-6-19(33)22(35)31-18(20(34)13-27)5-3-11-30-24(28)29/h7-10,15,18-19,21H,3-6,11-14H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453122 (US10711036, Compound 172) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C27H38BrFN6O5/c28-18-10-8-17(9-11-18)24(38)34-23(16-5-2-1-3-6-16)26(40)35-15-19(36)13-21(35)25(39)33-20(22(37)14-29)7-4-12-32-27(30)31/h8-11,16,19-21,23,36H,1-7,12-15H2,(H,33,39)(H,34,38)(H4,30,31,32)/t19-,20+,21+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453099 (US10711036, Compound 154) Show SMILES CC(C)[C@H](NC(=O)\C=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H37FN6O4/c1-17(2)23(32-22(35)13-12-18-8-4-3-5-9-18)25(37)33-15-7-11-20(33)24(36)31-19(21(34)16-27)10-6-14-30-26(28)29/h3-5,8-9,12-13,17,19-20,23H,6-7,10-11,14-16H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/b13-12+/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453050 (US10711036, Compound 108) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C29H43FN6O5/c30-18-24(37)22(14-9-16-33-28(31)32)34-26(38)23-15-7-8-17-36(23)27(39)25(21-12-5-2-6-13-21)35-29(40)41-19-20-10-3-1-4-11-20/h1,3-4,10-11,21-23,25H,2,5-9,12-19H2,(H,34,38)(H,35,40)(H4,31,32,33)/t22-,23-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453128 (US10711036, Compound 178) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C22H32BrFN6O4/c1-12(2)18(30-20(33)14-6-8-15(23)9-7-14)21(34)28-13(3)19(32)29-16(17(31)11-24)5-4-10-27-22(25)26/h6-9,12-13,16,18H,4-5,10-11H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)(H4,25,26,27)/t13-,16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453080 (US10711036, Compound 134) Show SMILES CC(C)[C@H](NC(=O)c1cccc(c1)C#N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H34FN7O4/c1-15(2)21(32-22(35)17-7-3-6-16(12-17)14-27)24(37)33-11-5-9-19(33)23(36)31-18(20(34)13-26)8-4-10-30-25(28)29/h3,6-7,12,15,18-19,21H,4-5,8-11,13H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453102 (US10711036, Compound 156) Show SMILES CC(C)[C@H](NC(=O)c1cnc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C27H36FN7O4/c1-16(2)23(34-24(37)18-13-17-7-3-4-8-19(17)32-15-18)26(39)35-12-6-10-21(35)25(38)33-20(22(36)14-28)9-5-11-31-27(29)30/h3-4,7-8,13,15-16,20-21,23H,5-6,9-12,14H2,1-2H3,(H,33,38)(H,34,37)(H4,29,30,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453133 (US10711036, Compound 183) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36BrFN6O4/c1-14(2)21(32-22(35)17-9-8-16(26)12-15(17)3)24(37)33-11-5-7-19(33)23(36)31-18(20(34)13-27)6-4-10-30-25(28)29/h8-9,12,14,18-19,21H,4-7,10-11,13H2,1-3H3,(H,31,36)(H,32,35)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453055 (US10711036, Compound 113) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H35FN6O4/c1-15(2)20(30-21(33)16-8-4-3-5-9-16)23(35)31-13-7-11-18(31)22(34)29-17(19(32)14-25)10-6-12-28-24(26)27/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3,(H,29,34)(H,30,33)(H4,26,27,28)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50510284 (CHEMBL4461333 | US10711036, Compound 101) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453049 (US10711036, Compound 107) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-17(2)22(32-26(37)38-16-18-9-4-3-5-10-18)24(36)33-14-7-6-12-20(33)23(35)31-19(21(34)15-27)11-8-13-30-25(28)29/h3-5,9-10,17,19-20,22H,6-8,11-16H2,1-2H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM50510284 (CHEMBL4461333 | US10711036, Compound 101) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 29: 1336-1339 (2019) Article DOI: 10.1016/j.bmcl.2019.03.046 BindingDB Entry DOI: 10.7270/Q2WW7N1M
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453057 (US10711036, Compound 115) Show SMILES CC(C)[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O4/c1-14(2)20(31-21(34)15-6-3-7-16(25)12-15)23(36)32-11-5-9-18(32)22(35)30-17(19(33)13-26)8-4-10-29-24(27)28/h3,6-7,12,14,17-18,20H,4-5,8-11,13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453059 (US10711036, Compound 117) Show SMILES CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O4/c1-16(2)22(31-21(34)14-17-8-4-3-5-9-17)24(36)32-13-7-11-19(32)23(35)30-18(20(33)15-26)10-6-12-29-25(27)28/h3-5,8-9,16,18-19,22H,6-7,10-15H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t18-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453061 (US10711036, Compound 119) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O4/c1-17(2)23(32-22(35)13-12-18-8-4-3-5-9-18)25(37)33-15-7-11-20(33)24(36)31-19(21(34)16-27)10-6-14-30-26(28)29/h3-5,8-9,17,19-20,23H,6-7,10-16H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453044 (US10711036, Compound 103) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-26(2,3)21(32-25(37)38-16-17-9-5-4-6-10-17)23(36)33-14-8-12-19(33)22(35)31-18(20(34)15-27)11-7-13-30-24(28)29/h4-6,9-10,18-19,21H,7-8,11-16H2,1-3H3,(H,31,35)(H,32,37)(H4,28,29,30)/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453041 (US10711036, Compound 102) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C28H41FN6O5/c29-17-23(36)21(13-7-15-32-27(30)31)33-25(37)22-14-8-16-35(22)26(38)24(20-11-5-2-6-12-20)34-28(39)40-18-19-9-3-1-4-10-19/h1,3-4,9-10,20-22,24H,2,5-8,11-18H2,(H,33,37)(H,34,39)(H4,30,31,32)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453110 (US10711036, Compound 162) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C28H43FN6O4/c1-17(2)23(34-24(37)18-10-12-19(13-11-18)28(3,4)5)26(39)35-15-7-9-21(35)25(38)33-20(22(36)16-29)8-6-14-32-27(30)31/h10-13,17,20-21,23H,6-9,14-16H2,1-5H3,(H,33,38)(H,34,37)(H4,30,31,32)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453087 (US10711036, Compound 143) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C27H38BrFN6O4/c28-19-12-10-18(11-13-19)24(37)34-23(17-6-2-1-3-7-17)26(39)35-15-5-9-21(35)25(38)33-20(22(36)16-29)8-4-14-32-27(30)31/h10-13,17,20-21,23H,1-9,14-16H2,(H,33,38)(H,34,37)(H4,30,31,32)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442792 (MPI7) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H42N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,19,21,24-27H,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453060 (US10711036, Compound 118) Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Br)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H36BrFN6O4/c1-15(2)22(32-21(35)13-16-6-3-7-17(26)12-16)24(37)33-11-5-9-19(33)23(36)31-18(20(34)14-27)8-4-10-30-25(28)29/h3,6-7,12,15,18-19,22H,4-5,8-11,13-14H2,1-2H3,(H,31,36)(H,32,35)(H4,28,29,30)/t18-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453123 (US10711036, Compound 173) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF |r| Show InChI InChI=1S/C25H36BrFN6O5/c26-17-10-8-16(9-11-17)22(36)33-21(15-5-2-1-3-6-15)24(38)32-19(14-34)23(37)31-18(20(35)13-27)7-4-12-30-25(28)29/h8-11,15,18-19,21,34H,1-7,12-14H2,(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453097 (US10711036, Compound 152) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C28H37FN6O4/c1-17(2)24(34-25(37)20-12-11-18-7-3-4-8-19(18)15-20)27(39)35-14-6-10-22(35)26(38)33-21(23(36)16-29)9-5-13-32-28(30)31/h3-4,7-8,11-12,15,17,21-22,24H,5-6,9-10,13-14,16H2,1-2H3,(H,33,38)(H,34,37)(H4,30,31,32)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453052 (US10711036, Compound 110) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O6/c1-15(2)21(31-25(37)38-14-16-7-4-3-5-8-16)23(36)32-13-17(33)11-19(32)22(35)30-18(20(34)12-26)9-6-10-29-24(27)28/h3-5,7-8,15,17-19,21,33H,6,9-14H2,1-2H3,(H,30,35)(H,31,37)(H4,27,28,29)/t17-,18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453065 (US10711036, Compound 123) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-15(2)21(31-22(34)16-8-10-17(37-3)11-9-16)24(36)32-13-5-7-19(32)23(35)30-18(20(33)14-26)6-4-12-29-25(27)28/h8-11,15,18-19,21H,4-7,12-14H2,1-3H3,(H,30,35)(H,31,34)(H4,27,28,29)/t18-,19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453121 (US10711036, Compound 171) Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O5/c1-13(2)20(31-21(35)14-5-7-15(25)8-6-14)23(37)32-12-16(33)10-18(32)22(36)30-17(19(34)11-26)4-3-9-29-24(27)28/h5-8,13,16-18,20,33H,3-4,9-12H2,1-2H3,(H,30,36)(H,31,35)(H4,27,28,29)/t16-,17+,18+,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (BOVINE)	BDBM50150906 ((E)-7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(E)-3-hydrox...) Show SMILES CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(O)COc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3+,13-12+/t19?,21-,22-,23+,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd Curated by ChEMBL					Assay Description Binding affinity for Prostanoid FP receptor of bovine corpus luteum				Bioorg Med Chem Lett 14: 4525-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.037 BindingDB Entry DOI: 10.7270/Q2513ZZS
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453071 (US10711036, Compound 129) Show SMILES CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H36FN7O4/c1-15(2)20(31-24(36)29-16-8-4-3-5-9-16)22(35)32-13-7-11-18(32)21(34)30-17(19(33)14-25)10-6-12-28-23(26)27/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3,(H,30,34)(H4,26,27,28)(H2,29,31,36)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453067 (US10711036, Compound 125) Show SMILES CC(C)[C@H](NC(=O)c1csc(C)n1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C22H34FN7O4S/c1-12(2)18(29-19(32)15-11-35-13(3)27-15)21(34)30-9-5-7-16(30)20(33)28-14(17(31)10-23)6-4-8-26-22(24)25/h11-12,14,16,18H,4-10H2,1-3H3,(H,28,33)(H,29,32)(H4,24,25,26)/t14-,16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM453051 (US10711036, Compound 109) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O6/c1-15(2)21(31-25(37)38-14-16-7-4-3-5-8-16)23(36)32-13-17(33)11-19(32)22(35)30-18(20(34)12-26)9-6-10-29-24(27)28/h3-5,7-8,15,17-19,21,33H,6,9-14H2,1-2H3,(H,30,35)(H,31,37)(H4,27,28,29)/t17-,18+,19+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University; Dana-Farber Cancer Institute, Inc.; Children''s Medical Center Corporation US Patent					Assay Description For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assa...				US Patent US10711036 (2020) BindingDB Entry DOI: 10.7270/Q2H70JVH
					More data for this Ligand-Target Pair

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