Found 168 hits with Last Name = 'alberts' and Initial = 'il' 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 |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210757
(CHEMBL3921278)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C20H22BrNO4/c1-3-26-20-14-10-22-5-4-11-6-19(25-2)17(23)8-12(11)16(22)7-13(14)15(21)9-18(20)24/h6,8-9,16,23-24H,3-5,7,10H2,1-2H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210764
(CHEMBL3976659)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H24BrNO4/c1-3-6-27-21-15-11-23-5-4-12-7-20(26-2)18(24)9-13(12)17(23)8-14(15)16(22)10-19(21)25/h7,9-10,17,24-25H,3-6,8,11H2,1-2H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210759
(CHEMBL3905947)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H26BrNO4/c1-3-4-7-28-22-16-12-24-6-5-13-8-21(27-2)19(25)10-14(13)18(24)9-15(16)17(23)11-20(22)26/h8,10-11,18,25-26H,3-7,9,12H2,1-2H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175544
(CHEMBL198664 | N-Hydroxy-4-oxo-4-(4-trifluoromethy...)Show InChI InChI=1S/C11H10F3NO3/c12-11(13,14)8-3-1-7(2-4-8)9(16)5-6-10(17)15-18/h1-4,18H,5-6H2,(H,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175545
(CHEMBL197685 | N-Hydroxycarbamoylmethyl-4-trifluor...)Show InChI InChI=1S/C10H9F3N2O3/c11-10(12,13)7-3-1-6(2-4-7)9(17)14-5-8(16)15-18/h1-4,18H,5H2,(H,14,17)(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175561
(CHEMBL198988 | N-Hydroxy-3-(4-trifluoromethyl-benz...)Show InChI InChI=1S/C10H10F3NO4S/c11-10(12,13)7-1-3-8(4-2-7)19(17,18)6-5-9(15)14-16/h1-4,16H,5-6H2,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50146629
(CHEMBL330040 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-tr...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O6S/c17-16(18,19)12-3-7-14(8-4-12)29(27,28)21(10-15(23)20-24)9-11-1-5-13(6-2-11)22(25)26/h1-8,24H,9-10H2,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human matrix metalloprotease-1 |
J Med Chem 47: 2761-7 (2004)
Article DOI: 10.1021/jm031061l BindingDB Entry DOI: 10.7270/Q2ZG6T0B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175531
(CHEMBL199156 | N-Hydroxy-2-(4-trifluoromethyl-benz...)Show InChI InChI=1S/C9H9F3N2O4S/c10-9(11,12)6-1-3-7(4-2-6)19(17,18)13-5-8(15)14-16/h1-4,13,16H,5H2,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210767
(CHEMBL3945691)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H24BrNO5/c1-26-5-6-28-21-15-11-23-4-3-12-7-20(27-2)18(24)9-13(12)17(23)8-14(15)16(22)10-19(21)25/h7,9-10,17,24-25H,3-6,8,11H2,1-2H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50088118
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human matrix metalloprotease-1 |
J Med Chem 47: 2761-7 (2004)
Article DOI: 10.1021/jm031061l BindingDB Entry DOI: 10.7270/Q2ZG6T0B |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210761
(CHEMBL3961827)Show SMILES [H][C@@]12Cc3ccc(O)c(OCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C20H23NO4/c1-3-25-20-15-11-21-7-6-13-9-19(24-2)18(23)10-14(13)16(21)8-12(15)4-5-17(20)22/h4-5,9-10,16,22-23H,3,6-8,11H2,1-2H3/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152837
(CHEMBL595489)Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152842
(CHEMBL3780268)Show InChI InChI=1S/C22H27NO5/c1-26-21-11-15-6-7-23-13-17-14(10-18(23)16(15)12-19(21)25)4-5-20(22(17)27-2)28-9-3-8-24/h4-5,11-12,18,24-25H,3,6-10,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210754
(CHEMBL3982215)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152846
(CHEMBL3780506)Show InChI InChI=1S/C22H27NO4/c1-4-9-27-20-6-5-14-10-18-16-12-19(24)21(25-2)11-15(16)7-8-23(18)13-17(14)22(20)26-3/h5-6,11-12,18,24H,4,7-10,13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175550
(CHEMBL198377 | N-Hydroxy-4-oxo-4-[4-(pyridin-4-ylo...)Show InChI InChI=1S/C15H14N2O4/c18-14(5-6-15(19)17-20)11-1-3-12(4-2-11)21-13-7-9-16-10-8-13/h1-4,7-10,20H,5-6H2,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175557
(CHEMBL194570 | N-Hydroxy-2-[4-(pyridin-4-yloxy)-be...)Show InChI InChI=1S/C13H13N3O5S/c17-13(16-18)9-15-22(19,20)12-3-1-10(2-4-12)21-11-5-7-14-8-6-11/h1-8,15,18H,9H2,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175529
(CHEMBL383560 | N-Hydroxy-3-[4-(pyridin-4-yloxy)-be...)Show InChI InChI=1S/C14H14N2O5S/c17-14(16-18)7-10-22(19,20)13-3-1-11(2-4-13)21-12-5-8-15-9-6-12/h1-6,8-9,18H,7,10H2,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175541
(CHEMBL438261 | N-Hydroxycarbamoylmethyl-4-(pyridin...)Show InChI InChI=1S/C14H13N3O4/c18-13(17-20)9-16-14(19)10-1-3-11(4-2-10)21-12-5-7-15-8-6-12/h1-8,20H,9H2,(H,16,19)(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50082556
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human matrix metalloprotease-1 |
J Med Chem 47: 2761-7 (2004)
Article DOI: 10.1021/jm031061l BindingDB Entry DOI: 10.7270/Q2ZG6T0B |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210763
(CHEMBL3894329)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OC(C)CC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H26BrNO4/c1-4-12(2)28-22-16-11-24-6-5-13-7-21(27-3)19(25)9-14(13)18(24)8-15(16)17(23)10-20(22)26/h7,9-10,12,18,25-26H,4-6,8,11H2,1-3H3/t12?,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152845
(CHEMBL3781840)Show InChI InChI=1S/C23H29NO4/c1-4-5-10-28-21-7-6-15-11-19-17-13-20(25)22(26-2)12-16(17)8-9-24(19)14-18(15)23(21)27-3/h6-7,12-13,19,25H,4-5,8-11,14H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210756
(CHEMBL3975220)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C22H27NO4/c1-3-4-9-27-22-17-13-23-8-7-15-11-21(26-2)20(25)12-16(15)18(23)10-14(17)5-6-19(22)24/h5-6,11-12,18,24-25H,3-4,7-10,13H2,1-2H3/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Patents
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50152841
(CHEMBL3780184)Show InChI InChI=1S/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152841
(CHEMBL3780184)Show InChI InChI=1S/C23H27NO4/c1-26-22-10-16-7-8-24-12-18-15(9-19(24)17(16)11-20(22)25)5-6-21(23(18)27-2)28-13-14-3-4-14/h5-6,10-11,14,19,25H,3-4,7-9,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152847
(CHEMBL3779928)Show InChI InChI=1S/C21H25NO4/c1-4-26-19-6-5-13-9-17-15-11-18(23)20(24-2)10-14(15)7-8-22(17)12-16(13)21(19)25-3/h5-6,10-11,17,23H,4,7-9,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210762
(CHEMBL3954556)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO4/c1-3-8-26-21-16-12-22-7-6-14-10-20(25-2)19(24)11-15(14)17(22)9-13(16)4-5-18(21)23/h4-5,10-11,17,23-24H,3,6-9,12H2,1-2H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50152845
(CHEMBL3781840)Show InChI InChI=1S/C23H29NO4/c1-4-5-10-28-21-7-6-15-11-19-17-13-20(25)22(26-2)12-16(17)8-9-24(19)14-18(15)23(21)27-3/h6-7,12-13,19,25H,4-5,8-11,14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152836
(CHEMBL3780481)Show InChI InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50210754
(CHEMBL3982215)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho... |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152844
(CHEMBL3780140)Show SMILES CCCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C24H31NO4/c1-4-5-6-11-29-22-8-7-16-12-20-18-14-21(26)23(27-2)13-17(18)9-10-25(20)15-19(16)24(22)28-3/h7-8,13-14,20,26H,4-6,9-12,15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50210758
(CHEMBL3945856)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C23H29NO4/c1-3-4-5-10-28-23-18-14-24-9-8-16-12-22(27-2)21(26)13-17(16)19(24)11-15(18)6-7-20(23)25/h6-7,12-13,19,25-26H,3-5,8-11,14H2,1-2H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho... |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE 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 |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho... |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE 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 |
City University of New York
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D3 receptor (unknown origin) by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210758
(CHEMBL3945856)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C23H29NO4/c1-3-4-5-10-28-23-18-14-24-9-8-16-12-22(27-2)21(26)13-17(16)19(24)11-15(18)6-7-20(23)25/h6-7,12-13,19,25-26H,3-5,8-11,14H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50210754
(CHEMBL3982215)Show SMILES [H][C@@]12Cc3ccc(O)c(OCCOC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C21H25NO5/c1-25-7-8-27-21-16-12-22-6-5-14-10-20(26-2)19(24)11-15(14)17(22)9-13(16)3-4-18(21)23/h3-4,10-11,17,23-24H,5-9,12H2,1-2H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting metho... |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50210765
(CHEMBL3964242)Show SMILES [H][C@@]12Cc3c(Br)cc(O)c(OCCCCC)c3CN1CCc1cc(OC)c(O)cc21 |r| Show InChI InChI=1S/C23H28BrNO4/c1-3-4-5-8-29-23-17-13-25-7-6-14-9-22(28-2)20(26)11-15(14)19(25)10-16(17)18(24)12-21(23)27/h9,11-12,19,26-27H,3-8,10,13H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 125: 255-268 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.036 BindingDB Entry DOI: 10.7270/Q2KW5J1T |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM11328
(CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...)Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human matrix metalloprotease-1 |
J Med Chem 47: 2761-7 (2004)
Article DOI: 10.1021/jm031061l BindingDB Entry DOI: 10.7270/Q2ZG6T0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175551
(CHEMBL366010 | N-Hydroxy-4-(4-methoxy-phenyl)-4-ox...)Show InChI InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)10(13)6-7-11(14)12-15/h2-5,15H,6-7H2,1H3,(H,12,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175543
(CHEMBL198662 | N-Hydroxy-3-(4-methoxy-benzenesulfo...)Show InChI InChI=1S/C10H13NO5S/c1-16-8-2-4-9(5-3-8)17(14,15)7-6-10(12)11-13/h2-5,13H,6-7H2,1H3,(H,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50175547
(CHEMBL198048 | N-Hydroxycarbamoylmethyl-4-methoxy-...)Show InChI InChI=1S/C10H12N2O4/c1-16-8-4-2-7(3-5-8)10(14)11-6-9(13)12-15/h2-5,15H,6H2,1H3,(H,11,14)(H,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
De Novo Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity towards (MMP-1) matrix metalloproteinase-1 |
J Med Chem 48: 6585-96 (2005)
Article DOI: 10.1021/jm050196j BindingDB Entry DOI: 10.7270/Q20K284B |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50152836
(CHEMBL3780481)Show InChI InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50152843
(CHEMBL3781035)Show SMILES CCCCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C25H33NO4/c1-4-5-6-7-12-30-23-9-8-17-13-21-19-15-22(27)24(28-2)14-18(19)10-11-26(21)16-20(17)25(23)29-3/h8-9,14-15,21,27H,4-7,10-13,16H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50152843
(CHEMBL3781035)Show SMILES CCCCCCOc1ccc2CC3N(CCc4cc(OC)c(O)cc34)Cc2c1OC Show InChI InChI=1S/C25H33NO4/c1-4-5-6-7-12-30-23-9-8-17-13-21-19-15-22(27)24(28-2)14-18(19)10-11-26(21)16-20(17)25(23)29-3/h8-9,14-15,21,27H,4-7,10-13,16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay |
Bioorg Med Chem 24: 2060-71 (2016)
Article DOI: 10.1016/j.bmc.2016.03.037 BindingDB Entry DOI: 10.7270/Q2SX6G3G |
More data for this Ligand-Target Pair | |