Compile Data Set for Download or QSAR

Found 92 hits of ic50 for UniProtKB: Q9D7Q1   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chitotriosidase-1 (Mus musculus)	BDBM50554342 (CHEMBL4776610) Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554344 (CHEMBL4756869) Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554343 (CHEMBL4794014) Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453493 (CHEMBL4209639) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(=O)N(C)C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H35ClN8O/c1-16-13-32(19-8-10-30(11-9-19)23-26-22(25)27-28-23)20(12-17-4-6-18(24)7-5-17)14-31(16)15-21(33)29(2)3/h4-7,16,19-20H,8-15H2,1-3H3,(H3,25,26,27,28)/t16-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554345 (CHEMBL4789376) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554340 (CHEMBL4788866) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453526 (CHEMBL4206372) Show SMILES CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H36ClN7/c1-16(2)13-30-15-21(12-18-4-6-19(24)7-5-18)31(14-17(30)3)20-8-10-29(11-9-20)23-26-22(25)27-28-23/h4-7,16-17,20-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t17-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453495 (CHEMBL4202739) Show SMILES [H][C@@]12C[C@H](O)CN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453526 (CHEMBL4206372) Show SMILES CC(C)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H36ClN7/c1-16(2)13-30-15-21(12-18-4-6-19(24)7-5-18)31(14-17(30)3)20-8-10-29(11-9-20)23-26-22(25)27-28-23/h4-7,16-17,20-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t17-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554346 (CHEMBL4764430) Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453514 (CHEMBL4214868) Show SMILES COC(=O)CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C22H32ClN7O2/c1-15-12-30(18-7-9-28(10-8-18)22-25-21(24)26-27-22)19(13-29(15)14-20(31)32-2)11-16-3-5-17(23)6-4-16/h3-6,15,18-19H,7-14H2,1-2H3,(H3,24,25,26,27)/t15-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554347 (CHEMBL4755139) Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453520 (CHEMBL4214737) Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(C)C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C26H42ClN7/c1-18(2)13-23-17-34(22-9-11-32(12-10-22)26-29-25(28)30-31-26)24(16-33(23)15-19(3)4)14-20-5-7-21(27)8-6-20/h5-8,18-19,22-24H,9-17H2,1-4H3,(H3,28,29,30,31)/t23-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453473 (CHEMBL4214400) Show SMILES [H][C@@]12C[C@@H](O)CN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O/c22-15-3-1-14(2-4-15)9-18-11-28-13-19(30)10-17(28)12-29(18)16-5-7-27(8-6-16)21-24-20(23)25-26-21/h1-4,16-19,30H,5-13H2,(H3,23,24,25,26)/t17-,18-,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554348 (CHEMBL4749391) Show SMILES CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI	UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453492 (CHEMBL4217181) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1CC(O)=O)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O2/c1-14-11-29(17-6-8-27(9-7-17)21-24-20(23)25-26-21)18(12-28(14)13-19(30)31)10-15-2-4-16(22)5-3-15/h2-5,14,17-18H,6-13H2,1H3,(H,30,31)(H3,23,24,25,26)/t14-,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504024 (CHEMBL4461925) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504024 (CHEMBL4461925) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCOC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H25ClN6O/c19-14-3-1-13(2-4-14)11-16-12-26-10-9-25(16)15-5-7-24(8-6-15)18-21-17(20)22-23-18/h1-4,15-16H,5-12H2,(H3,20,21,22,23)/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504019 (CHEMBL4580568) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H27ClN6/c20-15-6-4-14(5-7-15)13-17-3-1-2-10-26(17)16-8-11-25(12-9-16)19-22-18(21)23-24-19/h4-7,16-17H,1-3,8-13H2,(H3,21,22,23,24)/t17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453523 (CHEMBL4212940) Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C23H36ClN7/c1-16(2)12-20-15-31(19-8-10-30(11-9-19)23-26-22(25)27-28-23)21(14-29(20)3)13-17-4-6-18(24)7-5-17/h4-7,16,19-21H,8-15H2,1-3H3,(H3,25,26,27,28)/t20-,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453472 (CHEMBL4218948) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C26H33Cl2N7/c1-33-16-24(15-19-4-8-21(28)9-5-19)35(17-23(33)14-18-2-6-20(27)7-3-18)22-10-12-34(13-11-22)26-30-25(29)31-32-26/h2-9,22-24H,10-17H2,1H3,(H3,29,30,31,32)/t23-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453522 (CHEMBL4214715) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1CC1CCCCC1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C26H40ClN7/c1-32-17-24(16-20-7-9-21(27)10-8-20)34(18-23(32)15-19-5-3-2-4-6-19)22-11-13-33(14-12-22)26-29-25(28)30-31-26/h7-10,19,22-24H,2-6,11-18H2,1H3,(H3,28,29,30,31)/t23-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453474 (CHEMBL4211874) Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C22H34ClN7/c1-15(2)11-18-14-30(20(13-25-18)12-16-3-5-17(23)6-4-16)19-7-9-29(10-8-19)22-26-21(24)27-28-22/h3-6,15,18-20,25H,7-14H2,1-2H3,(H3,24,26,27,28)/t18-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504014 (CHEMBL4547227) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H25ClN6O/c19-13-3-1-12(2-4-13)9-15-10-16(26)11-25(15)14-5-7-24(8-6-14)18-21-17(20)22-23-18/h1-4,14-16,26H,5-11H2,(H3,20,21,22,23)/t15-,16+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	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	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453470 (CHEMBL4218821) Show SMILES [H][C@@]12CCCN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7/c22-16-5-3-15(4-6-16)12-19-13-28-9-1-2-18(28)14-29(19)17-7-10-27(11-8-17)21-24-20(23)25-26-21/h3-6,17-19H,1-2,7-14H2,(H3,23,24,25,26)/t18-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453494 (CHEMBL4210195) Show SMILES CN1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1CO)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C20H30ClN7O/c1-26-11-17(10-14-2-4-15(21)5-3-14)28(12-18(26)13-29)16-6-8-27(9-7-16)20-23-19(22)24-25-20/h2-5,16-18,29H,6-13H2,1H3,(H3,22,23,24,25)/t17-,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453524 (CHEMBL4207091) Show SMILES [H][C@@]12CCCCN1C[C@H](Cc1ccc(Cl)cc1)N(C2)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C22H32ClN7/c23-17-6-4-16(5-7-17)13-20-14-29-10-2-1-3-19(29)15-30(20)18-8-11-28(12-9-18)22-25-21(24)26-27-22/h4-7,18-20H,1-3,8-15H2,(H3,24,25,26,27)/t19-,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453475 (CHEMBL4204495) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C20H30ClN7/c1-14-12-28(17-7-9-27(10-8-17)20-23-19(22)24-25-20)18(13-26(14)2)11-15-3-5-16(21)6-4-15/h3-6,14,17-18H,7-13H2,1-2H3,(H3,22,23,24,25)/t14-,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504037 (CHEMBL4470253) Show SMILES CO[C@@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504016 (CHEMBL4537828) Show SMILES CO[C@H]1C[C@H](Cc2ccc(Cl)cc2)N(C1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H27ClN6O/c1-27-17-11-16(10-13-2-4-14(20)5-3-13)26(12-17)15-6-8-25(9-7-15)19-22-18(21)23-24-19/h2-5,15-17H,6-12H2,1H3,(H3,21,22,23,24)/t16-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504034 (CHEMBL4588384) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCC[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H25ClN6/c19-14-5-3-13(4-6-14)12-16-2-1-9-25(16)15-7-10-24(11-8-15)18-21-17(20)22-23-18/h3-6,15-16H,1-2,7-12H2,(H3,20,21,22,23)/t16-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453491 (CHEMBL4211133) Show SMILES COC(=O)N1C[C@H](Cc2ccc(Cl)cc2)N(C[C@@H]1C)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O2/c1-14-12-29(17-7-9-27(10-8-17)20-24-19(23)25-26-20)18(13-28(14)21(30)31-2)11-15-3-5-16(22)6-4-15/h3-6,14,17-18H,7-13H2,1-2H3,(H3,23,24,25,26)/t14-,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453521 (CHEMBL4204446) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1Cc1ccc(Cl)cc1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C26H33Cl2N7/c1-18-15-35(23-10-12-33(13-11-23)26-30-25(29)31-32-26)24(14-19-2-6-21(27)7-3-19)17-34(18)16-20-4-8-22(28)9-5-20/h2-9,18,23-24H,10-17H2,1H3,(H3,29,30,31,32)/t18-,24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504039 (CHEMBL4442663) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@@H](O)C[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H25ClN6O/c19-13-3-1-12(2-4-13)9-15-10-16(26)11-25(15)14-5-7-24(8-6-14)18-21-17(20)22-23-18/h1-4,14-16,26H,5-11H2,(H3,20,21,22,23)/t15-,16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50243685 (CHEMBL4084573) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)Cc1cccc2ccccc12 Show InChI InChI=1S/C26H29ClN6/c27-22-10-8-19(9-11-22)12-15-33(18-21-6-3-5-20-4-1-2-7-24(20)21)23-13-16-32(17-14-23)26-29-25(28)30-31-26/h1-11,23H,12-18H2,(H3,28,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504025 (CHEMBL4464754) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCO1 Show InChI InChI=1S/C21H31ClN6O/c22-17-6-4-16(5-7-17)8-11-28(15-19-3-1-2-14-29-19)18-9-12-27(13-10-18)21-24-20(23)25-26-21/h4-7,18-19H,1-3,8-15H2,(H3,23,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453496 (CHEMBL4210328) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1S(C)(=O)=O)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C20H30ClN7O2S/c1-14-12-27(17-7-9-26(10-8-17)20-23-19(22)24-25-20)18(13-28(14)31(2,29)30)11-15-3-5-16(21)6-4-15/h3-6,14,17-18H,7-13H2,1-2H3,(H3,22,23,24,25)/t14-,18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504017 (CHEMBL4541831) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCO1 Show InChI InChI=1S/C20H29ClN6O/c21-16-5-3-15(4-6-16)7-10-27(14-18-2-1-13-28-18)17-8-11-26(12-9-17)20-23-19(22)24-25-20/h3-6,17-18H,1-2,7-14H2,(H3,22,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504028 (CHEMBL4520755) Show SMILES CO[C@@H](C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C19H29ClN6O/c1-14(27-2)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)/t14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50243746 (CHEMBL4068944) Show SMILES CC(C)CN(CCc1ccc(Br)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C19H29BrN6/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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453471 (CHEMBL4209364) Show SMILES CN1CCN([C@@H](Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C19H28ClN7/c1-25-10-11-27(17(13-25)12-14-2-4-15(20)5-3-14)16-6-8-26(9-7-16)19-22-18(21)23-24-19/h2-5,16-17H,6-13H2,1H3,(H3,21,22,23,24)/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric metho...				Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.047 BindingDB Entry DOI: 10.7270/Q2ZK5K77
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50453471 (CHEMBL4209364) Show SMILES CN1CCN([C@@H](Cc2ccc(Cl)cc2)C1)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C19H28ClN7/c1-25-10-11-27(17(13-25)12-14-2-4-15(20)5-3-14)16-6-8-26(9-7-16)19-22-18(21)23-24-19/h2-5,16-17H,6-13H2,1H3,(H3,21,22,23,24)/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50554338 (CHEMBL4791640) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1CCS(=O)(=O)C[C@@H]1Cc1ccc(Cl)cc1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity usin...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504031 (CHEMBL4521547) Show SMILES COCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 Show InChI InChI=1S/C18H27ClN6O/c1-26-13-12-24(9-6-14-2-4-15(19)5-3-14)16-7-10-25(11-8-16)18-21-17(20)22-23-18/h2-5,16H,6-13H2,1H3,(H3,20,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50243760 (CHEMBL4082060) Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC1CCCCC1 Show InChI InChI=1S/C22H33ClN6/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/h6-9,18,20H,1-5,10-16H2,(H3,24,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	BDBM50504022 (CHEMBL4464943) Show SMILES C[C@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1 |r| Show InChI InChI=1S/C18H27ClN6O/c1-13(26)12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-24(11-8-16)18-21-17(20)22-23-18/h2-5,13,16,26H,6-12H2,1H3,(H3,20,21,22,23)/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylum...				J Med Chem 62: 7126-7145 (2019) Article DOI: 10.1021/acs.jmedchem.9b00681 BindingDB Entry DOI: 10.7270/Q27H1NTZ
					More data for this Ligand-Target Pair
Chitotriosidase-1 (Mus musculus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
OncoArendi Therapeutics SA Curated by ChEMBL					Assay Description Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N\...				J Med Chem 61: 695-710 (2018) Article DOI: 10.1021/acs.jmedchem.7b01051 BindingDB Entry DOI: 10.7270/Q2J105J5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 92 total )  |  Next  |  Last  >>

Jump to: