Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50010772   

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
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541950 (CHEMBL4643001) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H29Cl2N7/c1-31-15-21(12-16-2-4-18(25)5-3-16)33(14-17-13-19(26)6-7-22(17)31)20-8-10-32(11-9-20)24-28-23(27)29-30-24/h2-7,13,20-21H,8-12,14-15H2,1H3,(H3,27,28,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541949 (CHEMBL4635305) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H30ClN7/c1-30-16-21(14-17-6-8-19(25)9-7-17)32(15-18-4-2-3-5-22(18)30)20-10-12-31(13-11-20)24-27-23(26)28-29-24/h2-9,20-21H,10-16H2,1H3,(H3,26,27,28,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541930 (CHEMBL4637417) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O Show InChI InChI=1S/C22H27ClN6O/c23-18-7-5-16(6-8-18)9-12-29(15-17-3-1-2-4-20(17)30)19-10-13-28(14-11-19)22-25-21(24)26-27-22/h1-8,19,30H,9-15H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541931 (CHEMBL4634943) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1 Show InChI InChI=1S/C22H27ClN6O/c23-18-6-4-16(5-7-18)8-11-29(15-17-2-1-3-20(30)14-17)19-9-12-28(13-10-19)22-25-21(24)26-27-22/h1-7,14,19,30H,8-13,15H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243795 (CHEMBL4077644) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541933 (CHEMBL4646309) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-5-1-16(2-6-18)9-12-30(15-17-3-7-19(24)8-4-17)20-10-13-29(14-11-20)22-26-21(25)27-28-22/h1-8,20H,9-15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541934 (CHEMBL4632547) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl Show InChI InChI=1S/C22H25Cl2FN6/c23-17-4-1-15(2-5-17)7-10-31(14-16-3-6-18(25)13-20(16)24)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243799 (CHEMBL4077482) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541936 (CHEMBL4646247) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cc(F)ccc1F Show InChI InChI=1S/C22H25ClF2N6/c23-17-3-1-15(2-4-17)7-10-31(14-16-13-18(24)5-6-20(16)25)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541932 (CHEMBL4649081) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-6-4-16(5-7-18)8-11-30(15-17-2-1-3-19(24)14-17)20-9-12-29(13-10-20)22-26-21(25)27-28-22/h1-7,14,20H,8-13,15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541939 (CHEMBL4648962) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26ClFN6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541938 (CHEMBL4640857) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H27ClN6O/c24-18-7-5-16(6-8-18)13-20-15-31-21-4-2-1-3-17(21)14-30(20)19-9-11-29(12-10-19)23-26-22(25)27-28-23/h1-8,19-20H,9-15H2,(H3,25,26,27,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541940 (CHEMBL4638897) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26Cl2N6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541935 (CHEMBL4642053) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF3N6/c24-19-6-4-16(5-7-19)8-11-33(15-17-2-1-3-18(14-17)23(25,26)27)20-9-12-32(13-10-20)22-29-21(28)30-31-22/h1-7,14,20H,8-13,15H2,(H3,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541948 (CHEMBL4644319) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1CC(=C)COC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-14-11-27(17-6-8-26(9-7-17)20-23-19(22)24-25-20)18(13-28-12-14)10-15-2-4-16(21)5-3-15/h2-5,17-18H,1,6-13H2,(H3,22,23,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50243745 (CHEMBL4076989) Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541937 (CHEMBL4637250) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1Cl Show InChI InChI=1S/C21H25Cl2N7/c22-17-3-1-15(2-4-17)6-10-30(14-16-5-9-25-13-19(16)23)18-7-11-29(12-8-18)21-26-20(24)27-28-21/h1-5,9,13,18H,6-8,10-12,14H2,(H3,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541945 (CHEMBL4648998) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cccnc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H26ClN7O/c23-17-5-3-15(4-6-17)12-19-14-31-20-16(2-1-9-25-20)13-30(19)18-7-10-29(11-8-18)22-26-21(24)27-28-22/h1-6,9,18-19H,7-8,10-14H2,(H3,24,26,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541941 (CHEMBL4647895) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(ccc2OC[C@@H]1Cc1ccc(Cl)cc1)C#N |r| Show InChI InChI=1S/C24H26ClN7O/c25-19-4-1-16(2-5-19)12-21-15-33-22-6-3-17(13-26)11-18(22)14-32(21)20-7-9-31(10-8-20)24-28-23(27)29-30-24/h1-6,11,20-21H,7-10,12,14-15H2,(H3,27,28,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541930 (CHEMBL4637417) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O Show InChI InChI=1S/C22H27ClN6O/c23-18-7-5-16(6-8-18)9-12-29(15-17-3-1-2-4-20(17)30)19-10-13-28(14-11-19)22-25-21(24)26-27-22/h1-8,19,30H,9-15H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541944 (CHEMBL4648162) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccncc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H26ClN7O/c23-17-3-1-15(2-4-17)11-19-14-31-20-12-25-8-5-16(20)13-30(19)18-6-9-29(10-7-18)22-26-21(24)27-28-22/h1-5,8,12,18-19H,6-7,9-11,13-14H2,(H3,24,26,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541942 (CHEMBL4637576) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)cc(Cl)c2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H25Cl3N6O/c24-16-3-1-14(2-4-16)9-19-13-33-21-15(10-17(25)11-20(21)26)12-32(19)18-5-7-31(8-6-18)23-28-22(27)29-30-23/h1-4,10-11,18-19H,5-9,12-13H2,(H3,27,28,29,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541931 (CHEMBL4634943) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1 Show InChI InChI=1S/C22H27ClN6O/c23-18-6-4-16(5-7-18)8-11-29(15-17-2-1-3-20(30)14-17)19-9-12-28(13-10-19)22-25-21(24)26-27-22/h1-7,14,19,30H,8-13,15H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541933 (CHEMBL4646309) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-5-1-16(2-6-18)9-12-30(15-17-3-7-19(24)8-4-17)20-10-13-29(14-11-20)22-26-21(25)27-28-22/h1-8,20H,9-15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541930 (CHEMBL4637417) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1O Show InChI InChI=1S/C22H27ClN6O/c23-18-7-5-16(6-8-18)9-12-29(15-17-3-1-2-4-20(17)30)19-10-13-28(14-11-19)22-25-21(24)26-27-22/h1-8,19,30H,9-15H2,(H3,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243795 (CHEMBL4077644) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243799 (CHEMBL4077482) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1 Show InChI InChI=1S/C22H27ClN6/c23-19-8-6-17(7-9-19)10-13-29(16-18-4-2-1-3-5-18)20-11-14-28(15-12-20)22-25-21(24)26-27-22/h1-9,20H,10-16H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541931 (CHEMBL4634943) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(O)c1 Show InChI InChI=1S/C22H27ClN6O/c23-18-6-4-16(5-7-18)8-11-29(15-17-2-1-3-20(30)14-17)19-9-12-28(13-10-19)22-25-21(24)26-27-22/h1-7,14,19,30H,8-13,15H2,(H3,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541932 (CHEMBL4649081) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(Cl)c1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-6-4-16(5-7-18)8-11-30(15-17-2-1-3-19(24)14-17)20-9-12-29(13-10-20)22-26-21(25)27-28-22/h1-7,14,20H,8-13,15H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541934 (CHEMBL4632547) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(F)cc1Cl Show InChI InChI=1S/C22H25Cl2FN6/c23-17-4-1-15(2-5-17)7-10-31(14-16-3-6-18(25)13-20(16)24)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50243745 (CHEMBL4076989) Show SMILES CC(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541946 (CHEMBL4644320) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(Cc1ccccc1)[C@H](CO)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H29ClN6O/c24-19-8-6-17(7-9-19)14-21(16-31)30(15-18-4-2-1-3-5-18)20-10-12-29(13-11-20)23-26-22(25)27-28-23/h1-9,20-21,31H,10-16H2,(H3,25,26,27,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541949 (CHEMBL4635305) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2ccccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H30ClN7/c1-30-16-21(14-17-6-8-19(25)9-7-17)32(15-18-4-2-3-5-22(18)30)20-10-12-31(13-11-20)24-27-23(26)28-29-24/h2-9,20-21H,10-16H2,1H3,(H3,26,27,28,29)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541936 (CHEMBL4646247) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cc(F)ccc1F Show InChI InChI=1S/C22H25ClF2N6/c23-17-3-1-15(2-4-17)7-10-31(14-16-13-18(24)5-6-20(16)25)19-8-11-30(12-9-19)22-27-21(26)28-29-22/h1-6,13,19H,7-12,14H2,(H3,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541943 (CHEMBL4648844) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cnccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H26ClN7O/c23-17-3-1-15(2-4-17)11-19-14-31-20-5-8-25-12-16(20)13-30(19)18-6-9-29(10-7-18)22-26-21(24)27-28-22/h1-5,8,12,18-19H,6-7,9-11,13-14H2,(H3,24,26,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541935 (CHEMBL4642053) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF3N6/c24-19-6-4-16(5-7-19)8-11-33(15-17-2-1-3-18(14-17)23(25,26)27)20-9-12-32(13-10-20)22-29-21(28)30-31-22/h1-7,14,20H,8-13,15H2,(H3,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541948 (CHEMBL4644319) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1CC(=C)COC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-14-11-27(17-6-8-26(9-7-17)20-23-19(22)24-25-20)18(13-28-12-14)10-15-2-4-16(21)5-3-15/h2-5,17-18H,1,6-13H2,(H3,22,23,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541933 (CHEMBL4646309) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C22H26Cl2N6/c23-18-5-1-16(2-6-18)9-12-30(15-17-3-7-19(24)8-4-17)20-10-13-29(14-11-20)22-26-21(25)27-28-22/h1-8,20H,9-15H2,(H3,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541950 (CHEMBL4643001) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H29Cl2N7/c1-31-15-21(12-16-2-4-18(25)5-3-16)33(14-17-13-19(26)6-7-22(17)31)20-8-10-32(11-9-20)24-28-23(27)29-30-24/h2-7,13,20-21H,8-12,14-15H2,1H3,(H3,27,28,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541947 (CHEMBL4639220) Show SMILES CN([C@H](COc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H28Cl2N6O/c1-30(19-10-12-31(13-11-19)23-27-22(26)28-29-23)20(14-16-2-4-17(24)5-3-16)15-32-21-8-6-18(25)7-9-21/h2-9,19-20H,10-15H2,1H3,(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitin...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541937 (CHEMBL4637250) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1Cl Show InChI InChI=1S/C21H25Cl2N7/c22-17-3-1-15(2-4-17)6-10-30(14-16-5-9-25-13-19(16)23)18-7-11-29(12-8-18)21-26-20(24)27-28-21/h1-5,9,13,18H,6-8,10-12,14H2,(H3,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541950 (CHEMBL4643001) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(Cc2cc(Cl)ccc12)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C24H29Cl2N7/c1-31-15-21(12-16-2-4-18(25)5-3-16)33(14-17-13-19(26)6-7-22(17)31)20-8-10-32(11-9-20)24-28-23(27)29-30-24/h2-7,13,20-21H,8-12,14-15H2,1H3,(H3,27,28,29,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541938 (CHEMBL4640857) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2ccccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H27ClN6O/c24-18-7-5-16(6-8-18)13-20-15-31-21-4-2-1-3-17(21)14-30(20)19-9-11-29(12-10-19)23-26-22(25)27-28-23/h1-8,19-20H,9-15H2,(H3,25,26,27,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Acidic mammalian chitinase (Homo sapiens (Human))	BDBM50541929 (CHEMBL1738785) Show SMILES Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4[nH]cnc4c3=O)c(=O)c12 Show InChI InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of human acidic mammalian chitinase using 4-methylumbelliferyl-beta-D-N,N',N''-diacetylchitobioside and 4-methylumbelliferyl-beta-D-N,N',N...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541939 (CHEMBL4648962) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(F)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26ClFN6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50243795 (CHEMBL4077644) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1ccccc1Cl Show InChI InChI=1S/C22H26Cl2N6/c23-18-7-5-16(6-8-18)9-12-30(15-17-3-1-2-4-20(17)24)19-10-13-29(14-11-19)22-26-21(25)27-28-22/h1-8,19H,9-15H2,(H3,25,26,27,28)	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541940 (CHEMBL4638897) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cc(Cl)ccc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26Cl2N6O/c24-17-3-1-15(2-4-17)11-20-14-32-21-6-5-18(25)12-16(21)13-31(20)19-7-9-30(10-8-19)23-27-22(26)28-29-23/h1-6,12,19-20H,7-11,13-14H2,(H3,26,27,28,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Homo sapiens (Human))	BDBM50541945 (CHEMBL4648998) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N1Cc2cccnc2OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H26ClN7O/c23-17-5-3-15(4-6-17)12-19-14-31-20-16(2-1-9-25-20)13-30(19)18-7-10-29(11-8-18)22-26-21(24)27-28-22/h1-6,9,18-19H,7-8,10-14H2,(H3,24,26,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using ...				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541935 (CHEMBL4642053) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF3N6/c24-19-6-4-16(5-7-19)8-11-33(15-17-2-1-3-18(14-17)23(25,26)27)20-9-12-32(13-10-20)22-29-21(28)30-31-22/h1-7,14,20H,8-13,15H2,(H3,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541946 (CHEMBL4644320) Show SMILES Nc1nc(n[nH]1)N1CCC(CC1)N(Cc1ccccc1)[C@H](CO)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H29ClN6O/c24-19-8-6-17(7-9-19)14-21(16-31)30(15-18-4-2-1-3-5-18)20-10-12-29(13-11-20)23-26-22(25)27-28-23/h1-9,20-21,31H,10-16H2,(H3,25,26,27,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics S.A. Curated by ChEMBL					Assay Description Displacement of Tracer Red from human ERG by fluorescence polarization assay				ACS Med Chem Lett 11: 1228-1235 (2020) Article DOI: 10.1021/acsmedchemlett.0c00092 BindingDB Entry DOI: 10.7270/Q2PV6PX3
					More data for this Ligand-Target Pair

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