Found 347 hits with Last Name = 'dalvit' and Initial = 'c' 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 |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048364
(CHEMBL3309997)Show InChI InChI=1S/C19H17N5O3/c25-7-1-6-20-13-3-4-14-15(9-13)23-18(24-19(14)21-10-22-24)12-2-5-16-17(8-12)27-11-26-16/h2-5,8-10,20,25H,1,6-7,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048357
(CHEMBL3309990)Show InChI InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048374
(CHEMBL3310151)Show SMILES CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1 Show InChI InChI=1S/C22H22FN7O2/c1-28-4-6-29(7-5-28)14-10-15(23)20-16(11-14)25-19(30-21(20)26-22(24)27-30)9-13-2-3-17-18(8-13)32-12-31-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048365
(CHEMBL3309998)Show InChI InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048367
(CHEMBL3310000)Show SMILES CN(C)CCNc1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1 Show InChI InChI=1S/C21H23N7O2/c1-27(2)8-7-23-14-4-5-15-16(11-14)24-19(28-20(15)25-21(22)26-28)10-13-3-6-17-18(9-13)30-12-29-17/h3-6,9,11,23H,7-8,10,12H2,1-2H3,(H2,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048372
(CHEMBL3309269)Show SMILES Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)C(=O)NCCCO Show InChI InChI=1S/C21H20N6O4/c22-21-25-19-14-4-3-13(20(29)23-6-1-7-28)10-15(14)24-18(27(19)26-21)9-12-2-5-16-17(8-12)31-11-30-16/h2-5,8,10,28H,1,6-7,9,11H2,(H2,22,26)(H,23,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048354
(CHEMBL3309985)Show InChI InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048369
(CHEMBL3310002)Show SMILES CN1CCN(CC1)c1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1 Show InChI InChI=1S/C22H23N7O2/c1-27-6-8-28(9-7-27)15-3-4-16-17(12-15)24-20(29-21(16)25-22(23)26-29)11-14-2-5-18-19(10-14)31-13-30-18/h2-5,10,12H,6-9,11,13H2,1H3,(H2,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048371
(CHEMBL3310004)Show SMILES Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)C(=O)NCCO Show InChI InChI=1S/C20H18N6O4/c21-20-24-18-13-3-2-12(19(28)22-5-6-27)9-14(13)23-17(26(18)25-20)8-11-1-4-15-16(7-11)30-10-29-15/h1-4,7,9,27H,5-6,8,10H2,(H2,21,25)(H,22,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048370
(CHEMBL3310003)Show SMILES COCCNc1ccc2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1 Show InChI InChI=1S/C20H20N6O3/c1-27-7-6-22-13-3-4-14-15(10-13)23-18(26-19(14)24-20(21)25-26)9-12-2-5-16-17(8-12)29-11-28-16/h2-5,8,10,22H,6-7,9,11H2,1H3,(H2,21,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048358
(CHEMBL3309991)Show InChI InChI=1S/C17H11F2N5O2/c18-9-5-10(19)15-11(6-9)21-14(24-16(15)22-17(20)23-24)4-8-1-2-12-13(3-8)26-7-25-12/h1-3,5-6H,4,7H2,(H2,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048362
(CHEMBL3309995)Show InChI InChI=1S/C17H14N6O2/c18-10-2-3-11-12(7-10)20-15(23-16(11)21-17(19)22-23)6-9-1-4-13-14(5-9)25-8-24-13/h1-5,7H,6,8,18H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048368
(CHEMBL3310001)Show SMILES Nc1nc2c3ccc(NCCN4CCCC4)cc3nc(Cc3ccc4OCOc4c3)n2n1 Show InChI InChI=1S/C23H25N7O2/c24-23-27-22-17-5-4-16(25-7-10-29-8-1-2-9-29)13-18(17)26-21(30(22)28-23)12-15-3-6-19-20(11-15)32-14-31-19/h3-6,11,13,25H,1-2,7-10,12,14H2,(H2,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048366
(CHEMBL3309999)Show InChI InChI=1S/C19H19N7O2/c20-5-6-22-12-2-3-13-14(9-12)23-17(26-18(13)24-19(21)25-26)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,22H,5-6,8,10,20H2,(H2,21,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048356
(CHEMBL3309989)Show SMILES Nc1nc2c3ccc(cc3nc(Cc3ccc4OCOc4c3)n2n1)S(N)(=O)=O Show InChI InChI=1S/C17H14N6O4S/c18-17-21-16-11-3-2-10(28(19,24)25)7-12(11)20-15(23(16)22-17)6-9-1-4-13-14(5-9)27-8-26-13/h1-5,7H,6,8H2,(H2,18,22)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048360
(CHEMBL3309993)Show InChI InChI=1S/C17H13N5O3/c18-17-20-16-11-3-2-10(23)7-12(11)19-15(22(16)21-17)6-9-1-4-13-14(5-9)25-8-24-13/h1-5,7,23H,6,8H2,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048354
(CHEMBL3309985)Show InChI InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048375
(CHEMBL3310152)Show SMILES Nc1nc2c3c(NCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1 Show InChI InChI=1S/C19H17FN6O3/c20-11-7-12(22-3-4-27)17-13(8-11)23-16(26-18(17)24-19(21)25-26)6-10-1-2-14-15(5-10)29-9-28-14/h1-2,5,7-8,22,27H,3-4,6,9H2,(H2,21,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048379
(CHEMBL3310156)Show SMILES CN1CCN(CC1)c1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12 Show InChI InChI=1S/C22H22FN7O2/c1-28-4-6-29(7-5-28)16-11-14(23)10-15-20(16)21-26-22(24)27-30(21)19(25-15)9-13-2-3-17-18(8-13)32-12-31-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048361
(CHEMBL3309994)Show InChI InChI=1S/C17H13N5O3/c18-17-20-16-10-2-1-3-11(23)15(10)19-14(22(16)21-17)7-9-4-5-12-13(6-9)25-8-24-12/h1-6,23H,7-8H2,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 332 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048378
(CHEMBL3310155)Show SMILES NCCNc1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12 Show InChI InChI=1S/C19H18FN7O2/c20-11-7-12(23-4-3-21)17-13(8-11)24-16(27-18(17)25-19(22)26-27)6-10-1-2-14-15(5-10)29-9-28-14/h1-2,5,7-8,23H,3-4,6,9,21H2,(H2,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 656 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048355
(CHEMBL3309988)Show InChI InChI=1S/C17H12FN5O2/c18-10-2-3-11-12(7-10)20-15(23-16(11)21-17(19)22-23)6-9-1-4-13-14(5-9)25-8-24-13/h1-5,7H,6,8H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048390
(CHEMBL3309983)Show InChI InChI=1S/C18H17N5O2/c1-24-12-7-8-15(25-2)11(9-12)10-16-20-14-6-4-3-5-13(14)17-21-18(19)22-23(16)17/h3-9H,10H2,1-2H3,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048391
(CHEMBL3309984)Show InChI InChI=1S/C18H17N5O2/c1-24-14-8-7-11(9-15(14)25-2)10-16-20-13-6-4-3-5-12(13)17-21-18(19)22-23(16)17/h3-9H,10H2,1-2H3,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048387
(CHEMBL3309981)Show InChI InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048388
(CHEMBL3309982)Show InChI InChI=1S/C18H17N5O2/c1-24-12-8-7-11(15(10-12)25-2)9-16-20-14-6-4-3-5-13(14)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50517250
(CHEMBL4554026)Show InChI InChI=1S/C19H15IO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lavis
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin by fluorescence-based assay |
J Med Chem 62: 2218-2244 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01210 BindingDB Entry DOI: 10.7270/Q2BP065B |
More data for this Ligand-Target Pair | |
Albumin
(Homo sapiens (Human)) | BDBM50517250
(CHEMBL4554026)Show InChI InChI=1S/C19H15IO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lavis
Curated by ChEMBL
| Assay Description Binding affinity to human serum albumin assessed as inhibition constant by NMR spectroscopy |
J Med Chem 62: 2218-2244 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01210 BindingDB Entry DOI: 10.7270/Q2BP065B |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048385
(CHEMBL3309980)Show InChI InChI=1S/C17H15N5O/c1-23-12-8-6-11(7-9-12)10-15-19-14-5-3-2-4-13(14)16-20-17(18)21-22(15)16/h2-9H,10H2,1H3,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048377
(CHEMBL3310154)Show SMILES COCCNc1cc(F)cc2nc(Cc3ccc4OCOc4c3)n3nc(N)nc3c12 Show InChI InChI=1S/C20H19FN6O3/c1-28-5-4-23-13-8-12(21)9-14-18(13)19-25-20(22)26-27(19)17(24-14)7-11-2-3-15-16(6-11)30-10-29-15/h2-3,6,8-9,23H,4-5,7,10H2,1H3,(H2,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048376
(CHEMBL3310153)Show SMILES Nc1nc2c3c(NCCCO)cc(F)cc3nc(Cc3ccc4OCOc4c3)n2n1 Show InChI InChI=1S/C20H19FN6O3/c21-12-8-13(23-4-1-5-28)18-14(9-12)24-17(27-19(18)25-20(22)26-27)7-11-2-3-15-16(6-11)30-10-29-15/h2-3,6,8-9,23,28H,1,4-5,7,10H2,(H2,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048373
(CHEMBL3310150)Show InChI InChI=1S/C19H18N6O3/c20-19-23-18-17-12(21-6-7-26)2-1-3-13(17)22-16(25(18)24-19)9-11-4-5-14-15(8-11)28-10-27-14/h1-5,8,21,26H,6-7,9-10H2,(H2,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048393
(CHEMBL3309986)Show InChI InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048404
(CHEMBL3309987)Show InChI InChI=1S/C16H13N5O2/c17-16-19-15-11-3-1-2-4-12(11)18-14(21(15)20-16)7-9-5-6-10(22)8-13(9)23/h1-6,8,22-23H,7H2,(H2,17,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048359
(CHEMBL3309992)Show InChI InChI=1S/C17H12ClN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048363
(CHEMBL3309996)Show InChI InChI=1S/C18H16N6O2/c19-8-11-1-3-13-12(5-11)17-22-18(20)23-24(17)16(21-13)7-10-2-4-14-15(6-10)26-9-25-14/h1-6H,7-9,19H2,(H2,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by FP displacement assay |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048373
(CHEMBL3310150)Show InChI InChI=1S/C19H18N6O3/c20-19-23-18-17-12(21-6-7-26)2-1-3-13(17)22-16(25(18)24-19)9-11-4-5-14-15(8-11)28-10-27-14/h1-5,8,21,26H,6-7,9-10H2,(H2,20,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048384
(CHEMBL3309979)Show InChI InChI=1S/C17H16N6/c18-12-5-3-4-11(10-12)8-9-15-20-14-7-2-1-6-13(14)16-21-17(19)22-23(15)16/h1-7,10H,8-9,18H2,(H2,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048382
(CHEMBL3309722)Show InChI InChI=1S/C13H15N5/c1-3-5-10-15-11-8(2)6-4-7-9(11)12-16-13(14)17-18(10)12/h4,6-7H,3,5H2,1-2H3,(H2,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048380
(CHEMBL3309720)Show InChI InChI=1S/C13H15N5O/c1-3-5-10-15-11-8(6-4-7-9(11)19-2)12-16-13(14)17-18(10)12/h4,6-7H,3,5H2,1-2H3,(H2,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048383
(CHEMBL3309723)Show InChI InChI=1S/C12H12ClN5/c1-2-4-9-15-10-7(5-3-6-8(10)13)11-16-12(14)17-18(9)11/h3,5-6H,2,4H2,1H3,(H2,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50048381
(CHEMBL3309721)Show InChI InChI=1S/C12H12FN5/c1-2-4-9-15-8-6-3-5-7(13)10(8)11-16-12(14)17-18(9)11/h3,5-6H,2,4H2,1H3,(H2,14,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM37776
((5-propyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)am...)Show InChI InChI=1S/C12H13N5/c1-2-5-10-14-9-7-4-3-6-8(9)11-15-12(13)16-17(10)11/h3-4,6-7H,2,5H2,1H3,(H2,13,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method |
Bioorg Med Chem 22: 4135-50 (2014)
Article DOI: 10.1016/j.bmc.2014.05.056 BindingDB Entry DOI: 10.7270/Q2S46TMD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Complement factor D
(Homo sapiens (Human)) | BDBM50236213
(2-(3-Benzylureido)Benzoic Acid | CHEMBL561499)Show InChI InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lavis
Curated by ChEMBL
| Assay Description Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy |
J Med Chem 62: 2218-2244 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01210 BindingDB Entry DOI: 10.7270/Q2BP065B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Complement factor D
(Homo sapiens (Human)) | BDBM50236214
(CHEMBL4089211)Show SMILES OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1 Show InChI InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lavis
Curated by ChEMBL
| Assay Description Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy |
J Med Chem 62: 2218-2244 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01210 BindingDB Entry DOI: 10.7270/Q2BP065B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Fatty-acid amide hydrolase 1 [33-574]
(Rattus norvegicus (Rat)) | BDBM108250
(3‐(3‐carbamoylphenyl)‐4‐me...)Show SMILES Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O Show InChI InChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
| |
Chembiochem 14: 1611-9 (2013)
Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3 |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [33-574]
(Rattus norvegicus (Rat)) | BDBM108251
(2,3‐dichloro‐N‐{1H‐pyrrolo...)Show InChI InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(12(11)16)14(20)19-9-6-8-4-5-17-13(8)18-7-9/h1-7H,(H,17,18)(H,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD 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 |
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
| |
Chembiochem 14: 1611-9 (2013)
Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3 |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [33-574]
(Rattus norvegicus (Rat)) | BDBM50437232
(3‐(3‐carbamoylphenyl)‐4‐me...)Show SMILES COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O Show InChI InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
| |
Chembiochem 14: 1611-9 (2013)
Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3 |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [33-574]
(Rattus norvegicus (Rat)) | BDBM108234
(2‐(trifluoromethyl)‐7H,8H,9H‐[1,...)Show InChI InChI=1S/C10H7F3N4O/c11-10(12,13)8-15-9-14-4-5-6(17(9)16-8)2-1-3-7(5)18/h4H,1-3H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
| |
Chembiochem 14: 1611-9 (2013)
Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3 |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [33-574]
(Rattus norvegicus (Rat)) | BDBM50437217
(2‐(3‐carbamoylphenyl)‐4‐ [...)Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1C(O)=O Show InChI InChI=1S/C21H22N2O5/c22-19(24)14-6-4-5-13(11-14)18-12-16(9-10-17(18)20(25)26)28-21(27)23-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H2,22,24)(H,23,27)(H,25,26) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy).
| |
Chembiochem 14: 1611-9 (2013)
Article DOI: 10.1002/cbic.201300347 BindingDB Entry DOI: 10.7270/Q2DB80G3 |
More data for this Ligand-Target Pair | |