Found 397 hits of ic50 data for polymerid = 1181 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
(Homo sapiens (Human)) | BDBM50214361
(CHEMBL415389)Show SMILES [H][C@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(CO)OC(OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)C(NC(C)=O)\C=N\NC(=O)CCCCCNC(=O)CCCCC3SC[C@]4([H])NC(=O)N[C@]34[H])[C@@]1([H])NC(=O)N2 |c:39| Show InChI InChI=1S/C57H94N14O18S2/c1-30(75)62-34(24-61-70-43(80)20-8-6-14-22-59-41(78)18-12-10-16-39-45-36(29-91-39)65-56(84)67-45)53(85-32(25-72)23-60-69-42(79)19-7-5-13-21-58-40(77)17-11-9-15-38-44-35(28-90-38)64-55(83)66-44)88-52-37(27-74)86-54(47(49(52)82)63-31(2)76)87-51-33(26-73)50-46(48(51)81)68-57(89-50)71(3)4/h23-24,32-39,44-54,72-74,81-82H,5-22,25-29H2,1-4H3,(H,58,77)(H,59,78)(H,62,75)(H,63,76)(H,69,79)(H,70,80)(H2,64,66,83)(H2,65,67,84)/b60-23+,61-24+/t32?,33?,34?,35-,36-,37?,38?,39?,44-,45-,46?,47?,48?,49?,50?,51?,52?,53?,54?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM10854
(4-[(1S,4R,10S,13S,16S,18R)-10-{3-[(acetamidomethan...)Show SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r| Show InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 5.2 | 37 |
University of Dundee
| Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 65-76 (2005)
Article DOI: 10.1016/j.chembiol.2004.10.013 BindingDB Entry DOI: 10.7270/Q23F4MV6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554342
(CHEMBL4776610)Show SMILES CC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50554344
(CHEMBL4756869)Show SMILES CC(C)C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50214358
(CHEMBL318258)Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1 |t:3| Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | 16.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM50554343
(CHEMBL4794014)Show SMILES CC(C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | 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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | BDBM50554345
(CHEMBL4789376)Show SMILES Nc1n[nH]c(n1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50554347
(CHEMBL4755139)Show SMILES COC[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50554346
(CHEMBL4764430)Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50554340
(CHEMBL4788866)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01179 BindingDB Entry DOI: 10.7270/Q2B85CS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Chitotriosidase-1
(Homo sapiens (Human)) | 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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | BDBM50554348
(CHEMBL4749391)Show SMILES CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nc(N)n[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | 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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of human 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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | BDBM50214357
(CHEMBL319102)Show SMILES [H][C@@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(NC(C)=O)C(OC(CO)CO)OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)[C@]1([H])NC(=O)N2 |c:46| Show InChI InChI=1S/C41H69N9O16S/c1-20(55)44-24(14-43-49-29(58)12-6-5-9-13-42-28(57)11-8-7-10-27-30-25(19-67-27)46-40(61)47-30)38(62-22(15-51)16-52)65-37-26(18-54)63-39(32(34(37)60)45-21(2)56)64-36-23(17-53)35-31(33(36)59)48-41(66-35)50(3)4/h14,22-27,30-39,51-54,59-60H,5-13,15-19H2,1-4H3,(H,42,57)(H,44,55)(H,45,56)(H,49,58)(H2,46,47,61)/b43-14+/t23?,24?,25-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | BDBM50214360
(CHEMBL327266)Show SMILES [H][C@@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(NC(C)=O)C(OC(CO)C=O)OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)[C@]1([H])NC(=O)N2 |c:46| Show InChI InChI=1S/C41H67N9O16S/c1-20(55)44-24(14-43-49-29(58)12-6-5-9-13-42-28(57)11-8-7-10-27-30-25(19-67-27)46-40(61)47-30)38(62-22(15-51)16-52)65-37-26(18-54)63-39(32(34(37)60)45-21(2)56)64-36-23(17-53)35-31(33(36)59)48-41(66-35)50(3)4/h14-15,22-27,30-39,52-54,59-60H,5-13,16-19H2,1-4H3,(H,42,57)(H,44,55)(H,45,56)(H,49,58)(H2,46,47,61)/b43-14+/t22?,23?,24?,25-,26?,27?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 41.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 44 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as r... |
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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
OncoArendi Therapeutics SA
Curated by ChEMBL
| Assay Description Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(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)) | BDBM50214359
(CHEMBL103401)Show SMILES CN(C)C1=NC2C(O)C(OC3OC(CO)C(OC(OC(CO)CO)C(CO)NC(C)=O)C(O)C3NC(C)=O)C(CO)C2O1 |t:3| Show InChI InChI=1S/C25H44N4O14/c1-10(35)26-14(8-33)23(39-12(5-30)6-31)42-22-15(9-34)40-24(17(19(22)38)27-11(2)36)41-21-13(7-32)20-16(18(21)37)28-25(43-20)29(3)4/h12-24,30-34,37-38H,5-9H2,1-4H3,(H,26,35)(H,27,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase |
Bioorg Med Chem Lett 8: 2987-90 (1998)
BindingDB Entry DOI: 10.7270/Q2TM7D9X |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 82 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | 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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 84 | 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(Homo sapiens (Human)) | 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumb... |
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
(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 | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601644
(US11638707, Example 49.)Show SMILES Cc1coc(n1)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601645
(US11638707, Example 50.)Show SMILES Cc1nc(oc1C)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601650
(US11638707, Example 55.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](C[C@@H]1Cc1ccc(Cl)cc1)N1CCOCC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601651
(US11638707, Example 56.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(F)(F)C[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601652
(US11638707, Example 57.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1CC(F)(F)CC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601656
(US11638707, Example 61.)Show SMILES CC1CN(C1)C(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601657
(US11638707, Example 62.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(=O)N1CC(F)C1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601659
(US11638707, Example 64.)Show SMILES CC(C)(O)[C@H]1CN([C@@H](Cc2ccc(Br)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601662
(US11638707, Example 67.)Show SMILES CC(O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601663
(US11638707, Example 68.)Show SMILES CCC(O)(CC)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601664
(US11638707, Example 69.)Show SMILES CC(C)CNC(=O)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601665
(US11638707, Example 70.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](O)CC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601669
(US11638707, Example 74.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CO)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601670
(US11638707, Example 75.)Show SMILES C[C@H]1CN([C@@H](Cc2ccc(Br)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601671
(US11638707, Example 76.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CF)OC[C@@H]1Cc1ccc(Br)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601673
(US11638707, Example 78.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H]2CC(F)(F)CN2C[C@@H]1Cc1ccc(cc1)C(F)(F)F |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601596
(US11638707, Example 1.)Show SMILES CC(C)(F)[C@H]1CN([C@@H](Cc2ccc(Cl)cc2)CO1)C1CCN(CC1)c1nnc(N)[nH]1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601597
(US11638707, Example 2.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@@H](OC[C@@H]1Cc1ccc(Cl)cc1)C(F)F |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |
Chitotriosidase-1
(Homo sapiens (Human)) | BDBM601598
(US11638707, Example 3.)Show SMILES Nc1nnc([nH]1)N1CCC(CC1)N1C[C@H](CF)OC[C@@H]1Cc1ccc(Cl)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DV1PTC |
More data for this Ligand-Target Pair | |