Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'firth-clark' and Initial = 's'   

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...)	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...)	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...)	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...)	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...)	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...)	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...)	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
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192902 (US9193689, IQ-034) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C19H20N2O/c1-13-5-4-6-16-17(13)11-18(20-19(16)22)15-9-7-14(8-10-15)12-21(2)3/h4-11H,12H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					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...)	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	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...)	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...)	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...)	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
Cathepsin B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin)				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
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192909 (US9193689, IQ-222) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C21H21FN4O2/c1-13-9-15(22)10-17-16(13)11-19(24-20(17)27)14-3-4-18(23-12-14)21(28)26-7-5-25(2)6-8-26/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192904 (US9193689, IQ-130) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C20H22N2O2/c1-14-5-4-6-17-18(14)13-19(21-20(17)23)15-7-9-16(10-8-15)24-12-11-22(2)3/h4-10,13H,11-12H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192895 (US9193689, IQ-025) Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C19H21N5O/c1-13-4-3-5-15-16(13)10-17(22-18(15)25)14-11-20-19(21-12-14)24-8-6-23(2)7-9-24/h3-5,10-12H,6-9H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192905 (US9193689, REF-5) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C19H20N2O2/c1-21(2)11-12-23-16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)19(22)20-18/h3-10,13H,11-12H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031692 (CHEMBL3360295) Show SMILES [O-]C=O.CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CC[N+](C)(C)CC1 |r| Show InChI InChI=1S/C33H44N6O6.CH2O2/c1-22(2)28(29(41)33(45)34-21-27(40)38-16-18-39(4,5)19-17-38)37-30(42)23(3)35-32(44)26(20-24-12-8-6-9-13-24)36-31(43)25-14-10-7-11-15-25;2-1-3/h6-15,22-23,26,28H,16-21H2,1-5H3,(H3-,34,35,36,37,42,43,44,45);1H,(H,2,3)/t23-,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	17	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...)	BDBM50031710 (CHEMBL3360285) 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)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C30H40N4O5/c1-18(2)23(24(35)28(38)31-19(3)21-14-10-8-11-15-21)33-26(36)20(4)32-29(39)25(30(5,6)7)34-27(37)22-16-12-9-13-17-22/h8-20,23,25H,1-7H3,(H,31,38)(H,32,39)(H,33,36)(H,34,37)/t19-,20+,23+,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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...)	BDBM50031633 (CHEMBL3359789) 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)NC1CC1 |r| Show InChI InChI=1S/C25H36N4O5/c1-14(2)18(19(30)23(33)27-17-12-13-17)28-21(31)15(3)26-24(34)20(25(4,5)6)29-22(32)16-10-8-7-9-11-16/h7-11,14-15,17-18,20H,12-13H2,1-6H3,(H,26,34)(H,27,33)(H,28,31)(H,29,32)/t15-,18-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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...)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Reversible inhibition of house dust mite Derp-1				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
Cathepsin B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay				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...)	BDBM50031683 (CHEMBL3359773) Show SMILES CC(C)C(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C31H40N4O5/c1-20(2)26(27(36)31(40)33-24-17-11-6-12-18-24)35-28(37)21(3)32-30(39)25(19-22-13-7-4-8-14-22)34-29(38)23-15-9-5-10-16-23/h4-5,7-10,13-16,20-21,24-26H,6,11-12,17-19H2,1-3H3,(H,32,39)(H,33,40)(H,34,38)(H,35,37)/t21-,25-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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...)	BDBM50031670 (CHEMBL3359781) 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)NCc1ccccc1 |r| Show InChI InChI=1S/C32H39N5O5/c1-19(2)25(26(38)30(41)34-18-21-12-8-7-9-13-21)36-28(39)20(3)35-31(42)27(32(4,5)6)37-29(40)23-16-17-33-24-15-11-10-14-22(23)24/h7-17,19-20,25,27H,18H2,1-6H3,(H,34,41)(H,35,42)(H,36,39)(H,37,40)/t20-,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	18	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
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192903 (US9193689, REF-4) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C18H18N2O/c1-20(2)12-13-7-9-14(10-8-13)17-11-15-5-3-4-6-16(15)18(21)19-17/h3-11H,12H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031678 (CHEMBL3359779) 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)NC1CCCCC1 |r| Show InChI InChI=1S/C32H44N4O5/c1-19(2)25(26(37)30(40)34-22-15-8-7-9-16-22)35-28(38)20(3)33-31(41)27(32(4,5)6)36-29(39)24-18-12-14-21-13-10-11-17-23(21)24/h10-14,17-20,22,25,27H,7-9,15-16H2,1-6H3,(H,33,41)(H,34,40)(H,35,38)(H,36,39)/t20-,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	20	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...)	BDBM50031691 (CHEMBL3360296) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C36H44N6O6/c1-23(2)31(32(44)36(48)37-22-30(43)42-19-17-41(4)18-20-42)40-33(45)24(3)38-35(47)29(21-25-11-6-5-7-12-25)39-34(46)28-16-10-14-26-13-8-9-15-27(26)28/h5-16,23-24,29,31H,17-22H2,1-4H3,(H,37,48)(H,38,47)(H,39,46)(H,40,45)/t24-,29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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
Cathepsin B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay				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
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192899 (US9193689, IQ-003) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C20H22N4O/c1-14-4-3-5-16-17(14)12-18(22-20(16)25)15-6-7-19(21-13-15)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192907 (US9193689, REF-6) Show SMILES Oc1cccc2c1cc([nH]c2=O)-c1cnc(nc1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C21H21N5O3/c27-18-3-1-2-15-16(18)10-17(24-19(15)28)14-11-22-21(23-12-14)26-8-6-25(7-9-26)20(29)13-4-5-13/h1-3,10-13,27H,4-9H2,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Peptidase 1 (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031715 (CHEMBL3359791) Show SMILES CNC(=O)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(C)C |r| Show InChI InChI=1S/C23H34N4O5/c1-13(2)16(17(28)21(31)24-7)26-19(29)14(3)25-22(32)18(23(4,5)6)27-20(30)15-11-9-8-10-12-15/h8-14,16,18H,1-7H3,(H,24,31)(H,25,32)(H,26,29)(H,27,30)/t14-,16-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192901 (US9193689, REF-3) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)18-7-6-15(13-20-18)17-12-14-4-2-3-5-16(14)19(24)21-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192908 (US9193689, IQ-220) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C21H22N4O2/c1-14-4-3-5-16-17(14)12-19(23-20(16)26)15-6-7-18(22-13-15)21(27)25-10-8-24(2)9-11-25/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192897 (US9193689, IQ-080) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3c(C)cc(F)cc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-15-11-18(23)12-20-19(15)13-21(24-22(20)27)17-5-3-16(4-6-17)14-26-9-7-25(2)8-10-26/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192896 (US9193689, REF-1) Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C18H19N5O/c1-22-6-8-23(9-7-22)18-19-11-14(12-20-18)16-10-13-4-2-3-5-15(13)17(24)21-16/h2-5,10-12H,6-9H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1068-1325] (Homo sapiens (Human))	BDBM192912 (US9193689, REF-8) Show SMILES COc1ccc(nc1)-c1cc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O2/c1-10-4-3-5-12-13(10)8-15(18-16(12)19)14-7-6-11(20-2)9-17-14/h3-9H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) US Patent					Assay Description Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to ...				US Patent US9193689 (2015) BindingDB Entry DOI: 10.7270/Q29S1PTR
					More data for this Ligand-Target Pair

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