Compile Data Set for Download or QSAR

Found 546 hits with Last Name = 'newton' and Initial = 'gk'   

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
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031689 (CHEMBL3360298) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C34H49N7O6/c1-20(2)27(28(43)32(46)36-19-26(42)41-17-15-40(16-18-41)21(3)4)38-30(44)22(5)37-33(47)29(34(6,7)8)39-31(45)24-13-14-35-25-12-10-9-11-23(24)25/h9-14,20-22,27,29H,15-19H2,1-8H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t22-,27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031688 (CHEMBL3360299) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H39N5O7S/c1-17(2)23(24(36)27(38)32-15-19-11-13-21(14-12-19)43(31,41)42)34-26(37)18(3)33-28(39)25(30(4,5)6)35-16-20-9-7-8-10-22(20)29(35)40/h7-14,17-18,23,25H,15-16H2,1-6H3,(H,32,38)(H,33,39)(H,34,37)(H2,31,41,42)/t18-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031684 (CHEMBL3360302) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc2ccccc12)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C33H41N5O7S/c1-19(2)26(27(39)31(42)35-18-21-14-16-23(17-15-21)46(34,44)45)37-29(40)20(3)36-32(43)28(33(4,5)6)38-30(41)25-13-9-11-22-10-7-8-12-24(22)25/h7-17,19-20,26,28H,18H2,1-6H3,(H,35,42)(H,36,43)(H,37,40)(H,38,41)(H2,34,44,45)/t20-,26-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031695 (CHEMBL3360292) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C34H46N6O6/c1-22(2)29(30(42)34(46)35-21-28(41)40-18-16-39(17-19-40)23(3)4)38-31(43)24(5)36-33(45)27(20-25-12-8-6-9-13-25)37-32(44)26-14-10-7-11-15-26/h6-15,22-24,27,29H,16-21H2,1-5H3,(H,35,46)(H,36,45)(H,37,44)(H,38,43)/t24-,27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031687 (CHEMBL3360300) Show SMILES CNC(=O)c1ccc(CNC(=O)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N2Cc3ccccc3C2=O)C(C)(C)C)C(C)C)cc1 |r| Show InChI InChI=1S/C32H41N5O6/c1-18(2)24(25(38)29(41)34-16-20-12-14-21(15-13-20)28(40)33-7)36-27(39)19(3)35-30(42)26(32(4,5)6)37-17-22-10-8-9-11-23(22)31(37)43/h8-15,18-19,24,26H,16-17H2,1-7H3,(H,33,40)(H,34,41)(H,35,42)(H,36,39)/t19-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031685 (CHEMBL3360301) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 |r| Show InChI InChI=1S/C33H45N5O5/c1-20(2)26(27(39)30(41)34-17-22-13-15-23(16-14-22)18-37(7)8)36-29(40)21(3)35-31(42)28(33(4,5)6)38-19-24-11-9-10-12-25(24)32(38)43/h9-16,20-21,26,28H,17-19H2,1-8H3,(H,34,41)(H,35,42)(H,36,40)/t21-,26-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031690 (CHEMBL3360297) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r,TLB:12:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28| Show InChI InChI=1S/C35H50N6O6/c1-21(2)28(29(43)33(46)36-20-27(42)41-12-10-40(4)11-13-41)38-31(44)22(3)37-34(47)30(39-32(45)26-8-6-5-7-9-26)35-17-23-14-24(18-35)16-25(15-23)19-35/h5-9,21-25,28,30H,10-20H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t22-,23?,24?,25?,28-,30+,35?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031693 (CHEMBL3360294) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C33H43N5O6/c1-20(2)26(27(40)31(43)34-18-25(39)38-17-16-22-12-10-11-15-24(22)19-38)36-29(41)21(3)35-32(44)28(33(4,5)6)37-30(42)23-13-8-7-9-14-23/h7-15,20-21,26,28H,16-19H2,1-6H3,(H,34,43)(H,35,44)(H,36,41)(H,37,42)/t21-,26-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031713 (CHEMBL3360282) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C29H39N5O7S/c1-17(2)22(23(35)27(38)31-16-19-12-14-21(15-13-19)42(30,40)41)33-25(36)18(3)32-28(39)24(29(4,5)6)34-26(37)20-10-8-7-9-11-20/h7-15,17-18,22,24H,16H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,37)(H2,30,40,41)/t18-,22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031632 (CHEMBL3359790) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H32N4O5/c1-12(2)15(16(27)18(23)28)25-19(29)13(3)24-21(31)17(22(4,5)6)26-20(30)14-10-8-7-9-11-14/h7-13,15,17H,1-6H3,(H2,23,28)(H,24,31)(H,25,29)(H,26,30)/t13-,15-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031635 (CHEMBL3359786) Show SMILES [O-]C=O.CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C1CC[N+](C)(C)CC1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C30H47N5O5/c1-19(2)23(24(36)28(39)31-18-21-12-10-9-11-13-21)33-26(37)20(3)32-29(40)25(30(4,5)6)34-27(38)22-14-16-35(7,8)17-15-22/h9-13,19-20,22-23,25H,14-18H2,1-8H3,(H3-,31,32,33,34,37,38,39,40)/p+1/t20-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103023 (US8541363, PVA-039) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C28H43N5O5/c1-6-7-13-21(22(34)26(37)31-20-11-9-8-10-12-20)32-24(35)18(2)30-27(38)23(28(3,4)5)33-25(36)19-14-16-29-17-15-19/h14-18,20-21,23H,6-13H2,1-5H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)/t18-,21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
St George's Hosptial Medical School; The University of Manchester US Patent					Assay Description The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....				US Patent US8541363 (2013) BindingDB Entry DOI: 10.7270/Q2PC3105
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031668 (CHEMBL3359782) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C30H38N4O5/c1-18(2)23(24(35)27(37)31-16-20-12-8-7-9-13-20)33-26(36)19(3)32-28(38)25(30(4,5)6)34-17-21-14-10-11-15-22(21)29(34)39/h7-15,18-19,23,25H,16-17H2,1-6H3,(H,31,37)(H,32,38)(H,33,36)/t19-,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103022 (US8541363, PVA-037) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C29H44N4O5/c1-6-7-18-22(23(34)27(37)31-21-16-12-9-13-17-21)32-25(35)19(2)30-28(38)24(29(3,4)5)33-26(36)20-14-10-8-11-15-20/h8,10-11,14-15,19,21-22,24H,6-7,9,12-13,16-18H2,1-5H3,(H,30,38)(H,31,37)(H,32,35)(H,33,36)/t19-,22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.85	n/a	n/a	n/a	n/a	n/a	n/a
St George's Hosptial Medical School; The University of Manchester US Patent					Assay Description The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....				US Patent US8541363 (2013) BindingDB Entry DOI: 10.7270/Q2PC3105
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031719 (CHEMBL3359772) Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C32H42N4O5/c1-3-4-20-26(28(37)32(41)34-25-18-12-7-13-19-25)35-29(38)22(2)33-31(40)27(21-23-14-8-5-9-15-23)36-30(39)24-16-10-6-11-17-24/h5-6,8-11,14-17,22,25-27H,3-4,7,12-13,18-21H2,1-2H3,(H,33,40)(H,34,41)(H,35,38)(H,36,39)/t22-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031711 (CHEMBL3360284) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 |r| Show InChI InChI=1S/C32H45N5O5/c1-20(2)25(26(38)30(41)33-18-22-14-16-23(17-15-22)19-37(7)8)35-28(39)21(3)34-31(42)27(32(4,5)6)36-29(40)24-12-10-9-11-13-24/h9-17,20-21,25,27H,18-19H2,1-8H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)/t21-,25-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031714 (CHEMBL3360281) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H38N4O5/c1-18(2)22(23(34)27(37)30-17-20-13-9-7-10-14-20)32-25(35)19(3)31-28(38)24(29(4,5)6)33-26(36)21-15-11-8-12-16-21/h7-16,18-19,22,24H,17H2,1-6H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t19-,22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031697 (CHEMBL3360290) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C31H39N5O7/c1-20(2)26(27(38)31(42)32-19-25(37)36-14-16-43-17-15-36)35-28(39)21(3)33-30(41)24(18-22-10-6-4-7-11-22)34-29(40)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,32,42)(H,33,41)(H,34,40)(H,35,39)/t21-,24-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031694 (CHEMBL3360293) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C33H44N6O6/c1-21(2)27(28(40)32(44)35-23(4)33(45)39-18-16-38(5)17-19-39)37-29(41)22(3)34-31(43)26(20-24-12-8-6-9-13-24)36-30(42)25-14-10-7-11-15-25/h6-15,21-23,26-27H,16-20H2,1-5H3,(H,34,43)(H,35,44)(H,36,42)(H,37,41)/t22-,23-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031700 (CHEMBL3360287) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1cn[nH]c1 |r| Show InChI InChI=1S/C26H36N6O5/c1-15(2)19(20(33)24(36)27-12-17-13-28-29-14-17)31-22(34)16(3)30-25(37)21(26(4,5)6)32-23(35)18-10-8-7-9-11-18/h7-11,13-16,19,21H,12H2,1-6H3,(H,27,36)(H,28,29)(H,30,37)(H,31,34)(H,32,35)/t16-,19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031682 (CHEMBL3359775) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C32H36N4O5/c1-21(2)27(28(37)32(41)33-20-24-15-9-5-10-16-24)36-29(38)22(3)34-31(40)26(19-23-13-7-4-8-14-23)35-30(39)25-17-11-6-12-18-25/h4-18,21-22,26-27H,19-20H2,1-3H3,(H,33,41)(H,34,40)(H,35,39)(H,36,38)/t22-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103021 (US8541363, PVA-038) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H41N5O5/c1-16(2)20(21(33)25(36)30-19-10-8-7-9-11-19)31-23(34)17(3)29-26(37)22(27(4,5)6)32-24(35)18-12-14-28-15-13-18/h12-17,19-20,22H,7-11H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t17-,20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031673 (CHEMBL3359780) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)24(25(37)29(40)34-20-12-8-7-9-13-20)35-27(38)19(3)33-30(41)26(31(4,5)6)36-28(39)22-16-17-32-23-15-11-10-14-21(22)23/h10-11,14-20,24,26H,7-9,12-13H2,1-6H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t19-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103021 (US8541363, PVA-038) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H41N5O5/c1-16(2)20(21(33)25(36)30-19-10-8-7-9-11-19)31-23(34)17(3)29-26(37)22(27(4,5)6)32-24(35)18-12-14-28-15-13-18/h12-17,19-20,22H,7-11H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t17-,20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
St George's Hosptial Medical School; The University of Manchester US Patent					Assay Description The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....				US Patent US8541363 (2013) BindingDB Entry DOI: 10.7270/Q2PC3105
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031696 (CHEMBL3360291) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C29H44N6O6/c1-18(2)22(23(37)27(40)30-17-21(36)35-15-13-34(7)14-16-35)32-25(38)19(3)31-28(41)24(29(4,5)6)33-26(39)20-11-9-8-10-12-20/h8-12,18-19,22,24H,13-17H2,1-7H3,(H,30,40)(H,31,41)(H,32,38)(H,33,39)/t19-,22-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031698 (CHEMBL3360289) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C32H41N5O6/c1-21(2)27(28(39)32(43)33-20-26(38)37-17-11-6-12-18-37)36-29(40)22(3)34-31(42)25(19-23-13-7-4-8-14-23)35-30(41)24-15-9-5-10-16-24/h4-5,7-10,13-16,21-22,25,27H,6,11-12,17-20H2,1-3H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t22-,25-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103020 (US8541363, PVA-026) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
St George's Hosptial Medical School; The University of Manchester US Patent					Assay Description The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide....				US Patent US8541363 (2013) BindingDB Entry DOI: 10.7270/Q2PC3105
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM103020 (US8541363, PVA-026) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C28H42N4O5/c1-17(2)21(22(33)26(36)30-20-15-11-8-12-16-20)31-24(34)18(3)29-27(37)23(28(4,5)6)32-25(35)19-13-9-7-10-14-19/h7,9-10,13-14,17-18,20-21,23H,8,11-12,15-16H2,1-6H3,(H,29,37)(H,30,36)(H,31,34)(H,32,35)/t18-,21-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031699 (CHEMBL3360288) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C32H42N6O6/c1-21(2)27(28(40)32(44)33-20-26(39)38-17-15-37(4)16-18-38)36-29(41)22(3)34-31(43)25(19-23-11-7-5-8-12-23)35-30(42)24-13-9-6-10-14-24/h5-14,21-22,25,27H,15-20H2,1-4H3,(H,33,44)(H,34,43)(H,35,42)(H,36,41)/t22-,25-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245931 (US9433622, DMX- 3) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245964 (US9433622, DMX- 61) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245966 (US9433622, DMX- 63) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cn[nH]c2)n1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245971 (US9433622, DMX- 68) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C24H25FN8O/c25-19-4-6-33(15-19)23-17(12-26)11-18(13-29-23)22-3-5-27-24(31-22)30-20-1-2-21(28-14-20)16-32-7-9-34-10-8-32/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,27,30,31)/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246030 (US9433622, DMX- 127) Show SMILES COCCN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1 |r| Show InChI InChI=1S/C25H26FN7O/c1-34-9-8-32-14-17-2-3-22(11-20(17)15-32)30-25-28-6-4-23(31-25)19-10-18(12-27)24(29-13-19)33-7-5-21(26)16-33/h2-4,6,10-11,13,21H,5,7-9,14-16H2,1H3,(H,28,30,31)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246032 (US9433622, DMX- 37) Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246044 (US9433622, DMX- 49) Show SMILES O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 |r| Show InChI InChI=1S/C24H25N7O2/c25-14-17-13-18(15-27-23(17)31-8-6-21(32)16-31)22-5-7-26-24(29-22)28-19-1-3-20(4-2-19)30-9-11-33-12-10-30/h1-5,7,13,15,21,32H,6,8-12,16H2,(H,26,28,29)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246076 (US9433622, DMX- 142) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1 |r| Show InChI InChI=1S/C25H26FN9O2/c26-17-6-8-35(15-17)22-3-2-19(31-21(22)13-27)20-5-7-28-25(32-20)30-18-1-4-23(29-14-18)33-24(36)16-34-9-11-37-12-10-34/h1-5,7,14,17H,6,8-12,15-16H2,(H,28,30,32)(H,29,33,36)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246083 (US9433622, DMX- 149) Show SMILES C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cc(C#N)c(N3CC[C@H](F)C3)c(n2)C#N)cn1 |r| Show InChI InChI=1S/C26H26FN9O/c1-17-16-37-9-8-35(17)15-21-3-2-20(13-31-21)32-26-30-6-4-22(34-26)23-10-18(11-28)25(24(12-29)33-23)36-7-5-19(27)14-36/h2-4,6,10,13,17,19H,5,7-9,14-16H2,1H3,(H,30,32,34)/t17-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246087 (US9433622, DMX- 153) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F |r| Show InChI InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM246094 (US9433622, DMX- 156) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245933 (US9433622, DMX- 5) Show SMILES N#Cc1cc(cnc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C24H25N7O/c25-16-18-15-19(17-27-23(18)31-9-1-2-10-31)22-7-8-26-24(29-22)28-20-3-5-21(6-4-20)30-11-13-32-14-12-30/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246005 (US9433622, DMX- 102) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-18-4-7-34(13-18)23-16(10-26)9-17(11-30-23)21-3-5-28-24(32-21)31-19-1-2-20(29-12-19)14-33-8-6-27-22(35)15-33/h1-3,5,9,11-12,18H,4,6-8,13-15H2,(H,27,35)(H,28,31,32)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246032 (US9433622, DMX- 37) Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1 Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246039 (US9433622, DMX- 44) Show SMILES Cn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3CC(O)C4)c(c2)C#N)cn1 |THB:22:21:15:17.18| Show InChI InChI=1S/C21H22N8O/c1-28-12-15(11-25-28)26-21-23-5-4-19(27-21)14-6-13(9-22)20(24-10-14)29-16-2-3-17(29)8-18(30)7-16/h4-6,10-12,16-18,30H,2-3,7-8H2,1H3,(H,23,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246092 (US9433622, DMX- 154) Show SMILES CN(C)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C22H23N7O/c1-28(2)21-8-7-18(26-20(21)15-23)19-9-10-24-22(27-19)25-16-3-5-17(6-4-16)29-11-13-30-14-12-29/h3-10H,11-14H2,1-2H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM246094 (US9433622, DMX- 156) Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1 |r| Show InChI InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245950 (US9433622, DMX- 22) Show SMILES CC(C)(O)CNc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C23H25FN8O/c1-23(2,33)14-29-20-4-3-18(12-27-20)30-22-26-7-5-19(31-22)16-9-15(10-25)21(28-11-16)32-8-6-17(24)13-32/h3-5,7,9,11-12,17,33H,6,8,13-14H2,1-2H3,(H,27,29)(H,26,30,31)/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM245953 (US9433622, DMX- 25) Show SMILES F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1 |r| Show InChI InChI=1S/C23H24FN9/c24-18-4-8-33(15-18)22-16(12-25)11-17(13-29-22)20-3-5-27-23(31-20)30-19-1-2-21(28-14-19)32-9-6-26-7-10-32/h1-3,5,11,13-14,18,26H,4,6-10,15H2,(H,27,30,31)/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245952 (US9433622, DMX- 24) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26FN9/c1-32-8-10-33(11-9-32)22-3-2-20(15-28-22)30-24-27-6-4-21(31-24)18-12-17(13-26)23(29-14-18)34-7-5-19(25)16-34/h2-4,6,12,14-15,19H,5,7-11,16H2,1H3,(H,27,30,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM245956 (US9433622, DMX- 28) Show SMILES CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r| Show InChI InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<15	n/a	n/a	n/a	n/a	7.5	n/a
Case Western Reserve University US Patent					Assay Description Kinase inhibition assays (10 μL) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...				US Patent US9433622 (2016) BindingDB Entry DOI: 10.7270/Q2PZ57R4
					More data for this Ligand-Target Pair

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