Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50002102   

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
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)	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)	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)	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)	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)	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)	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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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)	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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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)	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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	518	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	527	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	697	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	751	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	936	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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)	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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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	1.59E+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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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)	BDBM50453497 (CHEMBL4205641) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C(C)=O)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O/c1-14-12-29(18-7-9-27(10-8-18)21-24-20(23)25-26-21)19(13-28(14)15(2)30)11-16-3-5-17(22)6-4-16/h3-6,14,18-19H,7-13H2,1-2H3,(H3,23,24,25,26)/t14-,19-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.38E+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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (Mus musculus)	BDBM50453497 (CHEMBL4205641) Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CN1C(C)=O)C1CCN(CC1)c1n[nH]c(N)n1 |r| Show InChI InChI=1S/C21H30ClN7O/c1-14-12-29(18-7-9-27(10-8-18)21-24-20(23)25-26-21)19(13-28(14)15(2)30)11-16-3-5-17(22)6-4-16/h3-6,14,18-19H,7-13H2,1-2H3,(H3,23,24,25,26)/t14-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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
Acidic mammalian chitinase (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	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric me...				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