Compile Data Set for Download or QSAR

Found 1269 hits with Last Name = 'berthelot' and Initial = 'd'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM17786 ((4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-...) Show SMILES CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	11	-45.0	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM17785 (2-aminoquinazoline, 3 | 4-(2-amino-6-phenoxy-3,4-d...) Show SMILES CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:38| Show InChI InChI=1S/C31H42N4O2/c1-34(25-13-7-3-8-14-25)30(36)20-19-29(23-11-5-2-6-12-23)35-22-24-21-27(17-18-28(24)33-31(35)32)37-26-15-9-4-10-16-26/h4,9-10,15-18,21,23,25,29H,2-3,5-8,11-14,19-20,22H2,1H3,(H2,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM17784 (2-aminoquinazoline, 2 | 3-[(2-amino-6-phenoxy-3,4-...) Show SMILES CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 |c:34| Show InChI InChI=1S/C29H32N4O2/c1-32(24-11-4-2-5-12-24)28(34)22-10-8-9-21(17-22)19-33-20-23-18-26(15-16-27(23)31-29(33)30)35-25-13-6-3-7-14-25/h3,6-10,13-18,24H,2,4-5,11-12,19-20H2,1H3,(H2,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	158	-38.4	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM17783 (2-aminoquinazoline, 1 | 3-(2-amino-6-benzoyl-3,4-d...) Show SMILES CN(C1CCCCC1)C(=O)CCN1Cc2cc(ccc2N=C1N)C(=O)c1ccccc1 |c:22| Show InChI InChI=1S/C25H30N4O2/c1-28(21-10-6-3-7-11-21)23(30)14-15-29-17-20-16-19(12-13-22(20)27-25(29)26)24(31)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,21H,3,6-7,10-11,14-15,17H2,1H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	900	-34.2	n/a	n/a	n/a	n/a	n/a	5.0	22
Johnson & Johnson Pharmaceutical					Assay Description BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding subst...				J Med Chem 50: 4261-4 (2007) Article DOI: 10.1021/jm0705408 BindingDB Entry DOI: 10.7270/Q24M92T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362745 (CHEMBL1939822) Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15| Show InChI InChI=1S/C19H16N2O2S/c1-21-17-13-8-3-4-9-14(13)18(22)15(17)16(20-19(21)24)11-6-5-7-12(10-11)23-2/h3-10,16H,1-2H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50036330 (CHEMBL3353090) Show SMILES COc1cc(Nc2nc(nn2C)-c2ccc(c(OC)c2)-n2cnc(C)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O2/c1-13-11-31(12-26-13)18-6-5-14(7-19(18)33-4)20-28-21(30(2)29-20)27-16-8-15(22(23,24)25)9-17(10-16)32-3/h5-12H,1-4H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as reduction in Abeta42 level				Bioorg Med Chem Lett 24: 5805-13 (2014) Article DOI: 10.1016/j.bmcl.2014.10.024 BindingDB Entry DOI: 10.7270/Q22V2HRP
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487969 (4-(4-((5-chloro-6-(2H-1,2,3- triazol-2-yl)pyridin-...) Show SMILES NC(=O)c1ncc(-n2ncc(C(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c2C(F)(F)F)c2ccsc12 Show InChI InChI=1S/C20H11ClF3N9O2S/c21-12-5-9(6-27-18(12)33-28-2-3-29-33)31-19(35)11-7-30-32(16(11)20(22,23)24)13-8-26-14(17(25)34)15-10(13)1-4-36-15/h1-8H,(H2,25,34)(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487728 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES FC(F)(F)c1c(cnn1-c1ccnc2ccoc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C20H10F3N9O2/c21-20(22,23)17-13(10-29-31(17)15-1-3-25-14-2-6-34-16(14)15)19(33)30-12-7-11(8-24)18(26-9-12)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50036340 (CHEMBL3353100) Show SMILES COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cccc(c2)C(F)(F)F)n(C)n1 Show InChI InChI=1S/C20H18F3N7O/c1-12-10-30(11-24-12)16-8-7-15(26-18(16)31-3)17-27-19(29(2)28-17)25-14-6-4-5-13(9-14)20(21,22)23/h4-11H,1-3H3,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as reduction in Abeta42 level				Bioorg Med Chem Lett 24: 5805-13 (2014) Article DOI: 10.1016/j.bmcl.2014.10.024 BindingDB Entry DOI: 10.7270/Q22V2HRP
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487612 (1-(benzofuran-4-yl)-N-(5-chloro- 6-(2H-1,2,3-triaz...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2occc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C20H11ClF3N7O2/c21-14-8-11(9-25-18(14)31-26-5-6-27-31)29-19(32)13-10-28-30(17(13)20(22,23)24)15-2-1-3-16-12(15)4-7-33-16/h1-10H,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488005 ((R)-N-(5-chloro-6-(2H-1,2,3- triazol-2-yl)pyridin-...) Show SMILES O[C@@H]1CCN(C1)c1ncc(-n2ncc(C(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c2C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C25H19ClF3N9O2/c26-19-9-14(10-30-23(19)38-32-6-7-33-38)35-24(40)18-11-34-37(21(18)25(27,28)29)20-12-31-22(36-8-5-15(39)13-36)17-4-2-1-3-16(17)20/h1-4,6-7,9-12,15,39H,5,8,13H2,(H,35,40)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM50561817 (CHEMBL4595238) Show SMILES Nc1ncnc2n(ccc12)[C@@H]1O[C@H](CN2CCCC22CCNCC2)[C@@H](O)[C@H]1O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infec...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00355 BindingDB Entry DOI: 10.7270/Q2RR22Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487933 (US10954214, Compound 355 | methyl 3-chloro-5-(1-(1...) Show SMILES COC(=O)c1ncc(NC(=O)c2cnn(c2C(F)(F)F)-c2cccc3c2cc[nH]c3=O)cc1Cl Show InChI InChI=1S/C21H13ClF3N5O4/c1-34-20(33)16-14(22)7-10(8-27-16)29-19(32)13-9-28-30(17(13)21(23,24)25)15-4-2-3-12-11(15)5-6-26-18(12)31/h2-9H,1H3,(H,26,31)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487687 (2-(3-chloro-5-(1-(quinolin-5-yl)- 5-(trifluorometh...) Show SMILES OC(=O)c1cnn(n1)-c1ncc(NC(=O)c2cnn(c2C(F)(F)F)-c2cccc3ncccc23)cc1Cl Show InChI InChI=1S/C22H12ClF3N8O3/c23-14-7-11(8-28-19(14)34-30-10-16(32-34)21(36)37)31-20(35)13-9-29-33(18(13)22(24,25)26)17-5-1-4-15-12(17)3-2-6-27-15/h1-10H,(H,31,35)(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487689 (1-(1-amino-8-fluoroisoquinolin- 4-yl)-N-(5-cyano-6...) Show SMILES Nc1ncc(-n2ncc(C(=O)Nc3cnc(c(c3)C#N)-n3nccn3)c2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H12F4N10O/c23-15-3-1-2-13-16(10-29-19(28)17(13)15)35-18(22(24,25)26)14(9-33-35)21(37)34-12-6-11(7-27)20(30-8-12)36-31-4-5-32-36/h1-6,8-10H,(H2,28,29)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487998 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES COc1ccc2c(cccc2n1)-n1ncc(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c1C(F)(F)F Show InChI InChI=1S/C22H14ClF3N8O2/c1-36-18-6-5-13-16(32-18)3-2-4-17(13)33-19(22(24,25)26)14(11-30-33)21(35)31-12-9-15(23)20(27-10-12)34-28-7-8-29-34/h2-11H,1H3,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488028 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES FC(F)(F)c1c(cnn1-c1ccnc2ccccc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C21H12ClF3N8O/c22-15-9-12(10-27-19(15)33-28-7-8-29-33)31-20(34)14-11-30-32(18(14)21(23,24)25)17-5-6-26-16-4-2-1-3-13(16)17/h1-11H,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362764 (CHEMBL1939833) Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17| Show InChI InChI=1S/C21H20N2O3S/c24-10-3-4-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-1-2-9-16(15)20(17)25/h1-2,5-9,12,17-18,24H,3-4,10-11H2,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487691 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2c1cc[nH]c2=O)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C22H12F3N9O2/c23-22(24,25)18-16(11-31-33(18)17-3-1-2-15-14(17)4-5-27-20(15)35)21(36)32-13-8-12(9-26)19(28-10-13)34-29-6-7-30-34/h1-8,10-11H,(H,27,35)(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487692 (1-(benzo[d]thiazol-7-yl)-N-(5- cyano-6-(2H-1,2,3-t...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2ncsc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C20H10F3N9OS/c21-20(22,23)17-13(9-29-31(17)15-3-1-2-14-16(15)34-10-26-14)19(33)30-12-6-11(7-24)18(25-8-12)32-27-4-5-28-32/h1-6,8-10H,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487625 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES FC(F)(F)c1c(cnn1-c1cncc2ccccc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C22H12F3N9O/c23-22(24,25)19-17(11-31-33(19)18-12-27-9-13-3-1-2-4-16(13)18)21(35)32-15-7-14(8-26)20(28-10-15)34-29-5-6-30-34/h1-7,9-12H,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487677 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES FC(F)(F)c1c(cnn1-c1nccc2ccoc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C20H10F3N9O2/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488000 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES CCOc1ncc(-n2ncc(C(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c2C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C23H16ClF3N8O2/c1-2-37-22-15-6-4-3-5-14(15)18(12-29-22)34-19(23(25,26)27)16(11-32-34)21(36)33-13-9-17(24)20(28-10-13)35-30-7-8-31-35/h3-12H,2H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488006 (N-(5-cyano-6-methoxypyridin-3- yl)-1-(1-oxo-1,2- d...) Show SMILES COc1ncc(NC(=O)C2=C(C(N=C2)c2cccc3c2cc[nH]c3=O)C(F)(F)F)cc1C#N |c:12,t:9| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 (Homo sapiens (Human))	BDBM50036336 (CHEMBL3352824) Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(ccc2F)C(F)(F)F)n(C)n1 Show InChI InChI=1S/C21H18F4N6O/c1-12-10-31(11-26-12)17-7-4-13(8-18(17)32-3)19-28-20(30(2)29-19)27-16-9-14(21(23,24)25)5-6-15(16)22/h4-11H,1-3H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of human gamma secretase assessed as reduction in Abeta42 level				Bioorg Med Chem Lett 24: 5805-13 (2014) Article DOI: 10.1016/j.bmcl.2014.10.024 BindingDB Entry DOI: 10.7270/Q22V2HRP
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487971 (4-(4-((5-chloro-2-methyl-6-(2H- 1,2,3-triazol-2-yl...) Show SMILES Cc1nc(c(Cl)cc1NC(=O)c1cnn(c1C(F)(F)F)-c1cnc(C(N)=O)c2sccc12)-n1nccn1 Show InChI InChI=1S/C21H13ClF3N9O2S/c1-9-13(6-12(22)19(31-9)34-28-3-4-29-34)32-20(36)11-7-30-33(17(11)21(23,24)25)14-8-27-15(18(26)35)16-10(14)2-5-37-16/h2-8H,1H3,(H2,26,35)(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487693 (N-(5-chloro-6-(4- (hydroxymethyl)-2H-1,2,3- triazo...) Show SMILES OCc1cnn(n1)-c1ncc(NC(=O)c2cnn(c2C(F)(F)F)-c2cccc3c2cc[nH]c3=O)cc1Cl Show InChI InChI=1S/C22H14ClF3N8O3/c23-16-6-11(7-28-19(16)34-30-8-12(10-35)32-34)31-21(37)15-9-29-33(18(15)22(24,25)26)17-3-1-2-14-13(17)4-5-27-20(14)36/h1-9,35H,10H2,(H,27,36)(H,31,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487731 (1-(benzo[d]thiazol-7-yl)-N-(5- chloro-6-(2H-1,2,3-...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2ncsc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C19H10ClF3N8OS/c20-12-6-10(7-24-17(12)31-26-4-5-27-31)29-18(32)11-8-28-30(16(11)19(21,22)23)14-3-1-2-13-15(14)33-9-25-13/h1-9H,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487581 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2ccccc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C22H13ClF3N7O/c23-17-10-14(11-27-20(17)33-28-8-9-29-33)31-21(34)16-12-30-32(19(16)22(24,25)26)18-7-3-5-13-4-1-2-6-15(13)18/h1-12H,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50362768 (CHEMBL1939828) Show SMILES COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:13| Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)/t14?,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487695 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES Fc1cccc2c(cncc12)-n1ncc(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c1C(F)(F)F Show InChI InChI=1S/C21H11ClF4N8O/c22-15-6-11(7-28-19(15)34-29-4-5-30-34)32-20(35)14-9-31-33(18(14)21(24,25)26)17-10-27-8-13-12(17)2-1-3-16(13)23/h1-10H,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487697 (1-(benzo[d][1,2,3]thiadiazol-7- yl)-N-(5-cyano-6-(...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2nnsc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C19H9F3N10OS/c20-19(21,22)16-12(9-27-31(16)14-3-1-2-13-15(14)34-30-29-13)18(33)28-11-6-10(7-23)17(24-8-11)32-25-4-5-26-32/h1-6,8-9H,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487700 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES Fc1cccc2c(cccc12)-n1ncc(C(=O)Nc2cnc(c(c2)C#N)-n2nccn2)c1C(F)(F)F Show InChI InChI=1S/C23H12F4N8O/c24-18-5-1-4-16-15(18)3-2-6-19(16)34-20(23(25,26)27)17(12-32-34)22(36)33-14-9-13(10-28)21(29-11-14)35-30-7-8-31-35/h1-9,11-12H,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487701 (N-(5-chloro-2-methyl-6-(2H- 1,2,3-triazol-2-yl)pyr...) Show SMILES Cc1nc(c(Cl)cc1NC(=O)c1cnn(c1C(F)(F)F)-c1cncc2c(F)cccc12)-n1nccn1 Show InChI InChI=1S/C22H13ClF4N8O/c1-11-17(7-15(23)20(32-11)35-29-5-6-30-35)33-21(36)14-9-31-34(19(14)22(25,26)27)18-10-28-8-13-12(18)3-2-4-16(13)24/h2-10H,1H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487703 (N-(5-chloro-6-(4-methyl-2H- 1,2,3-triazol-2-yl)pyr...) Show SMILES Cc1cnn(n1)-c1ncc(NC(=O)c2cnn(c2C(F)(F)F)-c2cccc3ncccc23)cc1Cl Show InChI InChI=1S/C22H14ClF3N8O/c1-12-9-30-34(32-12)20-16(23)8-13(10-28-20)31-21(35)15-11-29-33(19(15)22(24,25)26)18-6-2-5-17-14(18)4-3-7-27-17/h2-11H,1H3,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488004 (N-(5-chloro-2-methyl-6-(2H- 1,2,3-triazol-2-yl)pyr...) Show SMILES Cc1nc(c(Cl)cc1NC(=O)c1cnn(c1C(F)(F)F)-c1cnc(Cl)c2sccc12)-n1nccn1 Show InChI InChI=1S/C20H11Cl2F3N8OS/c1-9-13(6-12(21)18(30-9)33-27-3-4-28-33)31-19(34)11-7-29-32(16(11)20(23,24)25)14-8-26-17(22)15-10(14)2-5-35-15/h2-8H,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488008 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES OC1CN(C1)c1ncc(-n2ncc(C(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c2C(F)(F)F)c2ccsc12 Show InChI InChI=1S/C22H15ClF3N9O2S/c23-15-5-11(6-27-19(15)35-29-2-3-30-35)32-21(37)14-7-31-34(18(14)22(24,25)26)16-8-28-20(33-9-12(36)10-33)17-13(16)1-4-38-17/h1-8,12,36H,9-10H2,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM488021 ((*S)-N-(5-chloro-6-(2H-1,2,3- triazol-2-yl)pyridin...) Show SMILES C[C@H](O)c1ncc(-n2ncc(C(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c2C(F)(F)F)c2ccccc12 |r| Show InChI InChI=1S/C23H16ClF3N8O2/c1-12(36)19-15-5-3-2-4-14(15)18(11-28-19)34-20(23(25,26)27)16(10-32-34)22(37)33-13-8-17(24)21(29-9-13)35-30-6-7-31-35/h2-12,36H,1H3,(H,33,37)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487587 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2ncccc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C21H12ClF3N8O/c22-15-9-12(10-27-19(15)33-28-7-8-29-33)31-20(34)14-11-30-32(18(14)21(23,24)25)17-5-1-4-16-13(17)3-2-6-26-16/h1-11H,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM50362741 (CHEMBL1939826) Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17| Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, Janssen Pharmaceutica N.V. Curated by ChEMBL					Assay Description Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...				Bioorg Med Chem Lett 22: 797-800 (2012) Article DOI: 10.1016/j.bmcl.2011.12.068 BindingDB Entry DOI: 10.7270/Q2736RC4
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50522626 (CHEMBL4451760) Show SMILES COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r| Show InChI InChI=1S/C23H19FN4O2/c1-13-15(4-3-5-17(13)24)22-23-27-20(12-28(23)8-9-30-22)19-10-16-18(26-19)7-6-14(11-25)21(16)29-2/h3-7,10,12,22,26H,8-9H2,1-2H3/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase in human SKNBE2 cells expressing human APP695 assessed as increase in Abeta38 levels incubated for 18 hrs by sandwich E...				Bioorg Med Chem Lett 29: 1737-1745 (2019) Article DOI: 10.1016/j.bmcl.2019.05.023 BindingDB Entry DOI: 10.7270/Q2765JQS
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487775 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES FC(F)(F)c1c(cnn1-c1cccn2nccc12)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C19H11ClF3N9O/c20-13-8-11(9-24-17(13)32-26-5-6-27-32)29-18(33)12-10-28-31(16(12)19(21,22)23)15-2-1-7-30-14(15)3-4-25-30/h1-10H,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487694 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2c1cc[nH]c2=O)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1 Show InChI InChI=1S/C21H12ClF3N8O2/c22-15-8-11(9-27-18(15)33-28-6-7-29-33)31-20(35)14-10-30-32(17(14)21(23,24)25)16-3-1-2-13-12(16)4-5-26-19(13)34/h1-10H,(H,26,34)(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487696 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES Fc1cccc2c(cncc12)-n1ncc(C(=O)Nc2cnc(c(c2)C#N)-n2nccn2)c1C(F)(F)F Show InChI InChI=1S/C22H11F4N9O/c23-17-3-1-2-14-15(17)9-28-11-18(14)34-19(22(24,25)26)16(10-32-34)21(36)33-13-6-12(7-27)20(29-8-13)35-30-4-5-31-35/h1-6,8-11H,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487704 (N-(5-cyano-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl)...) Show SMILES FC(F)(F)c1c(cnn1-c1ccnc2sccc12)C(=O)Nc1cnc(c(c1)C#N)-n1nccn1 Show InChI InChI=1S/C20H10F3N9OS/c21-20(22,23)16-14(10-29-31(16)15-1-3-25-19-13(15)2-6-34-19)18(33)30-12-7-11(8-24)17(26-9-12)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487705 (N-(5-chloro-6-(oxazol-2- yl)pyridin-3-yl)-1-(1-oxo...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2c1cc[nH]c2=O)C(=O)Nc1cnc(-c2ncco2)c(Cl)c1 Show InChI InChI=1S/C22H12ClF3N6O3/c23-15-8-11(9-29-17(15)21-28-6-7-35-21)31-20(34)14-10-30-32(18(14)22(24,25)26)16-3-1-2-13-12(16)4-5-27-19(13)33/h1-10H,(H,27,33)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487669 (N-(5-chloro-6-(oxazol-2- yl)pyridin-3-yl)-1-(quino...) Show SMILES FC(F)(F)c1c(cnn1-c1cccc2ncccc12)C(=O)Nc1cnc(-c2ncco2)c(Cl)c1 Show InChI InChI=1S/C22H12ClF3N6O2/c23-15-9-12(10-29-18(15)21-28-7-8-34-21)31-20(33)14-11-30-32(19(14)22(24,25)26)17-5-1-4-16-13(17)3-2-6-27-16/h1-11H,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (Homo sapiens (Human))	BDBM487997 (N-(5-chloro-6-(2H-1,2,3-triazol- 2-yl)pyridin-3-yl...) Show SMILES Cn1c2ccccc2c(cc1=O)-n1ncc(C(=O)Nc2cnc(c(Cl)c2)-n2nccn2)c1C(F)(F)F Show InChI InChI=1S/C22H14ClF3N8O2/c1-32-16-5-3-2-4-13(16)17(9-18(32)35)33-19(22(24,25)26)14(11-30-33)21(36)31-12-8-15(23)20(27-10-12)34-28-6-7-29-34/h2-11H,1H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) pu...				US Patent US10954214 (2021) BindingDB Entry DOI: 10.7270/Q2SX6HB1
					More data for this Ligand-Target Pair

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