Compile Data Set for Download or QSAR

Found 2225 hits with Last Name = 'hornsperger' and Initial = 'b'   

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
Monoglyceride lipase (Homo sapiens (Human))	BDBM597927 (US11608347, Example 55 | [(7R,9aR)-7-(3-chloro-4- ...) Show SMILES COc1cccc(C(=O)N2CCN3C[C@H](CC[C@@H]3C2)c2ccc(F)c(Cl)c2)c1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In one embodiment, the present invention provides compounds of formula (Ie) and their pharmaceutically acceptable salts as described herein, wherein ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1HKS
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496984 (US11001555, Example 7) Show SMILES COC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C34H38ClF7N4O9S/c1-18(2)26(27(47)34(41,42)30(50)43-17-32(36,37)38)45-28(48)25-13-23(56(52,53)16-19-8-10-22(55-4)11-9-19)14-46(25)29(49)24(15-54-3)44-31(51)33(39,40)20-6-5-7-21(35)12-20/h5-12,18,23-26H,13-17H2,1-4H3,(H,43,50)(H,44,51)(H,45,48)/t23-,24+,25+,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.262	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM475923 ((4S)-4-[[(2S)-2-[[(2R)-2- (3-chloro-5- cyanophenox...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc(Cl)c1)Oc1cc(Cl)cc(c1)C#N)c1ccccc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C33H29Cl2F5N4O5/c1-18(2)26(28(45)33(39,40)31(48)42-17-32(36,37)38)43-30(47)27(21-8-4-3-5-9-21)44-29(46)25(14-19-7-6-10-22(34)11-19)49-24-13-20(16-41)12-23(35)15-24/h3-13,15,18,25-27H,14,17H2,1-2H3,(H,42,48)(H,43,47)(H,44,46)/t25-,26+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.293	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US10865182 (2020) BindingDB Entry DOI: 10.7270/Q2MC9330
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514094 (US11059858, Example 48) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(Cl)c(c1)C#N)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514076 (US11059858, Example 33) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514085 (US11059858, Example 42) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496983 (US11001555, Example 6) Show SMILES COC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1 Show InChI InChI=1S/C33H38ClF5N4O9S/c1-18(2)26(27(44)33(38,39)31(48)40-17-32(35,36)37)42-29(46)25-13-23(53(49,50)16-19-8-10-22(52-4)11-9-19)14-43(25)30(47)24(15-51-3)41-28(45)20-6-5-7-21(34)12-20/h5-12,18,23-26H,13-17H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)/t23-,24+,25+,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.351	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514104 (US11059858, Example 58) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514098 (N-[(2S)-3-(3-Chlorophenyl)-1-[[(1S)-2-[[(3S)-5,5-d...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514090 (US11059858, Example 44) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514091 (US11059858, Example 45) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514056 (US11059858, Example 15) Show SMILES COc1ccc(cc1)[C@H](NC(=O)C(Cc1cccc(Cl)c1)NC(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499311 (US11014963, Example 216) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)c2ccccn2)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C39H37ClF5N5O6/c1-22(2)31(33(51)39(43,44)45)49-36(54)32(25-14-16-28(56-3)17-15-25)50-35(53)30(48-37(55)38(41,42)26-7-6-8-27(40)20-26)19-23-10-12-24(13-11-23)21-47-34(52)29-9-4-5-18-46-29/h4-18,20,22,30-32H,19,21H2,1-3H3,(H,47,52)(H,48,55)(H,49,54)(H,50,53)/t30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50569654 (CHEMBL4875383 | US11802133, Example 239) Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(C1)OCc1ccc(Cl)cc1Oc1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM475927 ((4S)-4-[[(2S)-2-[[(2R)-2- (3-chlorophenoxy)-3-(3- ...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](Cc1cccc(F)c1)Oc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C33H32ClF6N3O6/c1-18(2)26(28(44)33(39,40)31(47)41-17-32(36,37)38)42-30(46)27(20-10-12-23(48-3)13-11-20)43-29(45)25(15-19-6-4-8-22(35)14-19)49-24-9-5-7-21(34)16-24/h4-14,16,18,25-27H,15,17H2,1-3H3,(H,41,47)(H,42,46)(H,43,45)/t25-,26+,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.461	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US10865182 (2020) BindingDB Entry DOI: 10.7270/Q2MC9330
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496981 (US11001555, Example 4) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](C)NC(=O)C(F)(F)c2cccc(F)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1 Show InChI InChI=1S/C33H36F8N4O8S/c1-17(2)25(26(46)33(40,41)29(49)42-16-31(35,36)37)44-27(47)24-13-23(54(51,52)15-19-8-10-22(53-4)11-9-19)14-45(24)28(48)18(3)43-30(50)32(38,39)20-6-5-7-21(34)12-20/h5-12,17-18,23-25H,13-16H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)/t18-,23+,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.471	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499107 (US11014963, Example 17) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1ccccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C38H41ClF5N3O8/c1-21(2)30(32(49)38(42,43)44)46-34(51)31(23-13-17-24(53-6)18-14-23)47-33(50)28(45-35(52)37(40,41)26-9-7-8-10-27(26)39)19-22-11-15-25(16-12-22)54-20-29(48)55-36(3,4)5/h7-18,21,28,30-31H,19-20H2,1-6H3,(H,45,52)(H,46,51)(H,47,50)/t28-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514086 (US11059858, Example 43) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50541792 (CHEMBL4635011) Show SMILES Cn1cc(cn1)C(=O)N1CC(C1)Oc1cncc(c1)N1C(=O)c2ccc(Cl)cc2C1(C)C Show InChI InChI=1S/C23H22ClN5O3/c1-23(2)20-6-15(24)4-5-19(20)22(31)29(23)16-7-17(10-25-9-16)32-18-12-28(13-18)21(30)14-8-26-27(3)11-14/h4-11,18H,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay				J Med Chem 63: 6876-6897 (2020) Article DOI: 10.1021/acs.jmedchem.0c00233 BindingDB Entry DOI: 10.7270/Q2H998RZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514058 (US11059858, Example 17) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514075 (US11059858, Example 32) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514061 (US11059858, Example 20) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514057 (US11059858, Example 16) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(Cc1cccc(Cl)c1)NC(=O)c1ccccc1)c1ccccc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514077 (US11059858, Example 34) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1ccc(Cl)s1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514078 (US11059858, Example 35) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514102 (US11059858, Example 56) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499266 (US11014963, Example 166) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C38H42ClF5N4O7/c1-21(2)29(31(49)38(42,43)44)47-33(51)30(24-14-16-27(54-6)17-15-24)48-32(50)28(46-34(52)37(40,41)25-8-7-9-26(39)19-25)18-22-10-12-23(13-11-22)20-45-35(53)55-36(3,4)5/h7-17,19,21,28-30H,18,20H2,1-6H3,(H,45,53)(H,46,52)(H,47,51)(H,48,50)/t28-,29-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514079 (US11059858, Example 36) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496990 (US11001555, Example 13) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2cccc(F)c2)NC(=O)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C42H49ClF3N5O9S/c1-26(2)36(37(52)42(45,46)41(56)47-14-15-50-16-18-60-19-17-50)49-39(54)35-23-33(61(57,58)25-27-10-12-32(59-3)13-11-27)24-51(35)40(55)34(21-28-6-4-9-31(44)20-28)48-38(53)29-7-5-8-30(43)22-29/h4-13,20,22,26,33-36H,14-19,21,23-25H2,1-3H3,(H,47,56)(H,48,53)(H,49,54)/t33-,34+,35+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.538	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM476636 (US10870623, Example 8) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C42H48ClF5N4O9S/c1-24(2)34(35(53)42(46,47)48)51-36(54)33-20-31(62(58,59)23-27-14-16-30(60-6)17-15-27)22-52(33)37(55)32(50-38(56)41(44,45)28-8-7-9-29(43)19-28)18-25-10-12-26(13-11-25)21-49-39(57)61-40(3,4)5/h7-17,19,24,31-34H,18,20-23H2,1-6H3,(H,49,57)(H,50,56)(H,51,54)/t31-,32+,33+,34+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US10870623 (2020) BindingDB Entry DOI: 10.7270/Q2CN7704
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496997 (N-[(2S)-3-(3,4-Dichlorophenyl)-1-[(2S,4R)-2-[[(3S)...) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)c2ccccn2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C37H38Cl2F5N5O8S/c1-20(2)30(31(50)37(43,44)35(54)46-19-36(40,41)42)48-33(52)29-16-24(58(55,56)18-21-7-10-23(57-3)11-8-21)17-49(29)34(53)28(15-22-9-12-25(38)26(39)14-22)47-32(51)27-6-4-5-13-45-27/h4-14,20,24,28-30H,15-19H2,1-3H3,(H,46,54)(H,47,51)(H,48,52)/t24-,28+,29+,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.574	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496982 (US11001555, Example 5) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@H](COC(C)(C)C)NC(=O)C(F)(F)c2cccc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1 Show InChI InChI=1S/C37H44ClF7N4O9S/c1-20(2)28(29(50)37(44,45)32(53)46-19-35(39,40)41)48-30(51)27-15-25(59(55,56)18-21-10-12-24(57-6)13-11-21)16-49(27)31(52)26(17-58-34(3,4)5)47-33(54)36(42,43)22-8-7-9-23(38)14-22/h7-14,20,25-28H,15-19H2,1-6H3,(H,46,53)(H,47,54)(H,48,51)/t25-,26+,27+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.579	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514063 (US11059858, Example 22) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514084 ((4S)-4-[[(2S)-2-[[(2S)-3-(3-Chlorophenyl)-2-[[2-(3...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514099 (3,5-Dichloro-N-[(2S)-3-(3-chlorophenyl)-1-[[(1S)-2...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514101 (US11059858, Example 55) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)C1(CC1)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514103 (US11059858, Example 57) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499267 (US11014963, Example 170) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C(C)C)c1ccc(Cl)cc1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C41H50ClF3N4O7/c1-23(2)32(27-13-17-29(42)18-14-27)37(52)47-31(21-25-9-11-26(12-10-25)22-46-39(54)56-40(5,6)7)36(51)49-34(28-15-19-30(55-8)20-16-28)38(53)48-33(24(3)4)35(50)41(43,44)45/h9-20,23-24,31-34H,21-22H2,1-8H3,(H,46,54)(H,47,52)(H,48,53)(H,49,51)/t31-,32-,33-,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514059 (US11059858, Example 18) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(C#N)c(Cl)c1)NC(=O)c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499264 (US11014963, Example 163) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C33H42ClF3N4O7/c1-19(2)25(27(42)33(35,36)37)40-30(45)26(20-13-15-23(47-6)16-14-20)41-29(44)24(39-28(43)21-10-9-11-22(34)18-21)12-7-8-17-38-31(46)48-32(3,4)5/h9-11,13-16,18-19,24-26H,7-8,12,17H2,1-6H3,(H,38,46)(H,39,43)(H,40,45)(H,41,44)/t24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.602	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499095 (US11014963, Example 6) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C32H30ClF6N3O5/c1-17(2)25(27(43)32(37,38)39)41-29(45)26(19-10-12-23(47-3)13-11-19)42-28(44)24(15-18-6-4-9-22(34)14-18)40-30(46)31(35,36)20-7-5-8-21(33)16-20/h4-14,16-17,24-26H,15H2,1-3H3,(H,40,46)(H,41,45)(H,42,44)/t24-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499097 (US11014963, Example 8) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C33H30ClF5N4O5/c1-18(2)26(28(44)33(37,38)39)42-30(46)27(21-10-12-24(48-3)13-11-21)43-29(45)25(15-19-6-4-7-20(14-19)17-40)41-31(47)32(35,36)22-8-5-9-23(34)16-22/h4-14,16,18,25-27H,15H2,1-3H3,(H,41,47)(H,42,46)(H,43,45)/t25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496994 (US11001555, Example 17) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccn1)S(=O)(=O)Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F Show InChI InChI=1S/C36H37ClF5N5O7S/c1-21(2)29(30(48)36(41,42)34(52)44-20-35(38,39)40)46-32(50)28-17-25(55(53,54)19-22-9-4-3-5-10-22)18-47(28)33(51)27(16-23-11-8-12-24(37)15-23)45-31(49)26-13-6-7-14-43-26/h3-15,21,25,27-29H,16-20H2,1-2H3,(H,44,52)(H,45,49)(H,46,50)/t25-,27+,28+,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.667	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM475926 ((4S)-4-[[(2S)-2-[[(2R)-2- (3-cyanophenoxy)-3-(3- f...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](Cc1cccc(F)c1)Oc1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C34H32F6N4O6/c1-19(2)27(29(45)34(39,40)32(48)42-18-33(36,37)38)43-31(47)28(22-10-12-24(49-3)13-11-22)44-30(46)26(16-20-6-4-8-23(35)14-20)50-25-9-5-7-21(15-25)17-41/h4-15,19,26-28H,16,18H2,1-3H3,(H,42,48)(H,43,47)(H,44,46)/t26-,27+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.686	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US10865182 (2020) BindingDB Entry DOI: 10.7270/Q2MC9330
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM496988 (US11001555, Example 11) Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1 Show InChI InChI=1S/C37H37Cl3F5N3O8S/c1-20(2)31(32(49)37(44,45)35(52)46-19-36(41,42)43)47-33(50)29-16-28(57(53,54)18-21-7-9-26(55-3)10-8-21)17-48(29)34(51)30(12-22-5-4-6-23(38)11-22)56-27-14-24(39)13-25(40)15-27/h4-11,13-15,20,28-31H,12,16-19H2,1-3H3,(H,46,52)(H,47,50)/t28-,29+,30-,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.694	n/a	n/a	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11001555 (2021) BindingDB Entry DOI: 10.7270/Q2G44TD5
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499222 ((2S)-3-(3-Chlorophenyl)-2-[[2-(3-chlorophenyl)acet...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C32H32Cl2F3N3O5/c1-18(2)27(29(42)32(35,36)37)39-31(44)28(21-10-12-24(45-3)13-11-21)40-30(43)25(16-19-6-4-8-22(33)14-19)38-26(41)17-20-7-5-9-23(34)15-20/h4-15,18,25,27-28H,16-17H2,1-3H3,(H,38,41)(H,39,44)(H,40,43)/t25-,27-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.695	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM514093 (US11059858, Example 47) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccn1)C(=O)N[C@@H](C1CCC1)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KDD
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499291 ((2S)-2-[[2-(2,5-Dichlorophenyl)-2,2-difluoroacetyl...) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](CO)NC(=O)C(F)(F)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C26H26Cl2F5N3O6/c1-12(2)19(21(38)26(31,32)33)35-23(40)20(13-4-7-15(42-3)8-5-13)36-22(39)18(11-37)34-24(41)25(29,30)14-6-9-16(27)17(28)10-14/h4-10,12,18-20,37H,11H2,1-3H3,(H,34,41)(H,35,40)(H,36,39)/t18-,19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair
Monoglyceride lipase (Homo sapiens (Human))	BDBM50569652 (CHEMBL4874643 | US11802133, Example 221) Show SMILES [H][C@@]12CN(CC[C@]1([H])OCC(=O)N2)C(=O)N1CC(CCc2ccc(cc2Br)C(F)(F)F)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499179 (US11014963, Example 73) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(c1)C#N)NC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C38H41F3N4O8/c1-22(2)31(33(47)38(39,40)41)44-36(50)32(25-13-15-27(51-6)16-14-25)45-35(49)29(18-23-9-7-10-24(17-23)20-42)43-34(48)26-11-8-12-28(19-26)52-21-30(46)53-37(3,4)5/h7-17,19,22,29,31-32H,18,21H2,1-6H3,(H,43,48)(H,44,50)(H,45,49)/t29-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...				US Patent US11014963 (2021) BindingDB Entry DOI: 10.7270/Q22R3VSM
					More data for this Ligand-Target Pair

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