Found 149 hits with Last Name = 'kiyoi' and Initial = 'y' 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 |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418228
(CHEMBL1760645)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418210
(CHEMBL1760664)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418212
(CHEMBL1760663)Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418213
(CHEMBL1760661)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O Show InChI InChI=1S/C23H22F3N3O4/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(33-23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418211
(CHEMBL1760662)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418210
(CHEMBL1760664)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50418228
(CHEMBL1760645)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
MSD
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418222
(CHEMBL1760652)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)9-18(15)12-30-20-7-5-16(11-28)8-17(20)10-21(30)22(32)29-13-23(2,3)14-31/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.513 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418221
(CHEMBL1760653)Show SMILES Cc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24ClN3O2/c1-15-4-6-19(24)9-18(15)12-27-20-7-5-16(11-25)8-17(20)10-21(27)22(29)26-13-23(2,3)14-28/h4-10,28H,12-14H2,1-3H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.575 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418220
(CHEMBL1760654)Show SMILES Cc1ccc(C)c(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1 Show InChI InChI=1S/C24H27N3O2/c1-16-5-6-17(2)20(9-16)13-27-21-8-7-18(12-25)10-19(21)11-22(27)23(29)26-14-24(3,4)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418223
(CHEMBL1760651)Show SMILES COc1ccc(C)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H27N3O3/c1-16-5-8-22(30-4)19(9-16)13-27-20-7-6-17(12-25)10-18(20)11-21(27)23(29)26-14-24(2,3)15-28/h5-11,28H,13-15H2,1-4H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.759 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418224
(CHEMBL1760650)Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24BrN3O3/c1-23(2,14-28)13-26-22(29)20-10-16-8-15(11-25)4-6-19(16)27(20)12-17-9-18(24)5-7-21(17)30-3/h4-10,28H,12-14H2,1-3H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.776 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543723
(CHEMBL4640512)Show SMILES Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NC3CCCCC3)ccc12 |r| Show InChI InChI=1S/C30H43N5O2/c31-28-25-14-13-22(18-23(25)15-16-32-28)20-33-29(36)27-12-7-17-35(27)30(37)26(19-21-8-3-1-4-9-21)34-24-10-5-2-6-11-24/h13-16,18,21,24,26-27,34H,1-12,17,19-20H2,(H2,31,32)(H,33,36)/t26-,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418229
(CHEMBL1760646)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C24H24F3N3O4/c1-23(2,14-31)13-29-22(32)20-10-16-8-15(11-28)4-6-19(16)30(20)12-17-9-18(34-24(25,26)27)5-7-21(17)33-3/h4-10,31H,12-14H2,1-3H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418217
(CHEMBL1760657)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O3/c1-33-21-5-3-18(24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418216
(CHEMBL1760658)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1)C(C)(C)C Show InChI InChI=1S/C27H31N3O3/c1-26(2,3)21-6-8-24(33-4)20(12-21)15-30-22-7-5-18(14-28)11-19(22)13-23(30)25(32)29-16-27(17-31)9-10-27/h5-8,11-13,31H,9-10,15-17H2,1-4H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418206
(CHEMBL1760668)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC1(O)CCC1)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O3/c1-34-22-6-4-19(25(26,27)28)12-18(22)15-31-20-5-3-16(14-29)11-17(20)13-21(31)23(32)30-10-9-24(33)7-2-8-24/h3-6,11-13,33H,2,7-10,15H2,1H3,(H,30,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.48 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418219
(CHEMBL1760655)Show SMILES CCCOc1cccc(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1 Show InChI InChI=1S/C25H29N3O3/c1-4-10-31-21-7-5-6-19(12-21)15-28-22-9-8-18(14-26)11-20(22)13-23(28)24(30)27-16-25(2,3)17-29/h5-9,11-13,29H,4,10,15-17H2,1-3H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.55 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418228
(CHEMBL1760645)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.82 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418225
(CHEMBL1760649)Show SMILES COc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C23H24ClN3O3/c1-23(2,14-28)13-26-22(29)20-10-16-8-15(11-25)4-6-19(16)27(20)12-17-9-18(24)5-7-21(17)30-3/h4-10,28H,12-14H2,1-3H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543691
(CHEMBL4646369)Show SMILES Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC3CCCCC3)C3CCOCC3)ccc12 |r| Show InChI InChI=1S/C28H39N5O3/c29-26-23-9-8-19(17-21(23)10-13-30-26)18-31-27(34)24-7-4-14-33(24)28(35)25(20-11-15-36-16-12-20)32-22-5-2-1-3-6-22/h8-10,13,17,20,22,24-25,32H,1-7,11-12,14-16,18H2,(H2,29,30)(H,31,34)/t24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418215
(CHEMBL1760659)Show SMILES COc1ccc(Cl)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CCC1 Show InChI InChI=1S/C24H24ClN3O3/c1-31-22-6-4-19(25)10-18(22)13-28-20-5-3-16(12-26)9-17(20)11-21(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.57 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418205
(CHEMBL1760669)Show SMILES OC1(CCNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCC1 Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)33-19-4-1-3-17(12-19)15-30-20-6-5-16(14-28)11-18(20)13-21(30)22(31)29-10-9-23(32)7-2-8-23/h1,3-6,11-13,32H,2,7-10,15H2,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.63 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543711
(CHEMBL4632660)Show SMILES CC(C)C[C@@H](NC1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C26H37N5O2/c1-17(2)14-22(30-20-6-4-3-5-7-20)26(33)31-13-11-23(31)25(32)29-16-18-8-9-21-19(15-18)10-12-28-24(21)27/h8-10,12,15,17,20,22-23,30H,3-7,11,13-14,16H2,1-2H3,(H2,27,28)(H,29,32)/t22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543712
(CHEMBL4642115)Show SMILES CC(C)C[C@@H](NC1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C28H41N5O2/c1-19(2)16-24(32-22-8-4-3-5-9-22)28(35)33-15-7-6-10-25(33)27(34)31-18-20-11-12-23-21(17-20)13-14-30-26(23)29/h11-14,17,19,22,24-25,32H,3-10,15-16,18H2,1-2H3,(H2,29,30)(H,31,34)/t24-,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418214
(CHEMBL1760660)Show SMILES Cc1ccc(F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CCC1 Show InChI InChI=1S/C24H24FN3O2/c1-16-3-5-20(25)10-19(16)13-28-21-6-4-17(12-26)9-18(21)11-22(28)23(30)27-14-24(15-29)7-2-8-24/h3-6,9-11,29H,2,7-8,13-15H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543692
(CHEMBL4635996)Show SMILES CC(C)C[C@@H](NC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C27H39N5O2/c1-18(2)15-23(31-21-7-4-3-5-8-21)27(34)32-14-6-9-24(32)26(33)30-17-19-10-11-22-20(16-19)12-13-29-25(22)28/h10-13,16,18,21,23-24,31H,3-9,14-15,17H2,1-2H3,(H2,28,29)(H,30,33)/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418210
(CHEMBL1760664)Show SMILES Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418218
(CHEMBL1760656)Show SMILES COc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC1(CO)CC1 Show InChI InChI=1S/C24H22F3N3O4/c1-33-21-5-3-18(34-24(25,26)27)9-17(21)12-30-19-4-2-15(11-28)8-16(19)10-20(30)22(32)29-13-23(14-31)6-7-23/h2-5,8-10,31H,6-7,12-14H2,1H3,(H,29,32) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418203
(CHEMBL1760644)Show SMILES CC(O)C1(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCCC1 Show InChI InChI=1S/C26H26F3N3O3/c1-17(33)25(9-2-3-10-25)16-31-24(34)23-13-20-11-18(14-30)7-8-22(20)32(23)15-19-5-4-6-21(12-19)35-26(27,28)29/h4-8,11-13,17,33H,2-3,9-10,15-16H2,1H3,(H,31,34) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418226
(CHEMBL1760648)Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cc(Cl)cc(Cl)c1)C#N Show InChI InChI=1S/C22H21Cl2N3O2/c1-22(2,13-28)12-26-21(29)20-8-16-5-14(10-25)3-4-19(16)27(20)11-15-6-17(23)9-18(24)7-15/h3-9,28H,11-13H2,1-2H3,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.37 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543689
(CHEMBL4637782)Show SMILES Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CC3)NC3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H37N5O2/c28-25-22-11-10-19(15-20(22)12-13-29-25)17-30-26(33)24-7-4-14-32(24)27(34)23(16-18-8-9-18)31-21-5-2-1-3-6-21/h10-13,15,18,21,23-24,31H,1-9,14,16-17H2,(H2,28,29)(H,30,33)/t23-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543690
(CHEMBL4636658)Show SMILES Nc1nccc2cc(CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC3CCCCC3)C3CCCCC3)ccc12 |r| Show InChI InChI=1S/C29H41N5O2/c30-27-24-14-13-20(18-22(24)15-16-31-27)19-32-28(35)25-12-7-17-34(25)29(36)26(21-8-3-1-4-9-21)33-23-10-5-2-6-11-23/h13-16,18,21,23,25-26,33H,1-12,17,19H2,(H2,30,31)(H,32,35)/t25-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418207
(CHEMBL1760667)Show SMILES OC(CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H16F9N3O3/c24-21(25,26)20(37,22(27,28)29)6-7-34-19(36)18-10-15-8-13(11-33)4-5-17(15)35(18)12-14-2-1-3-16(9-14)38-23(30,31)32/h1-5,8-10,37H,6-7,12H2,(H,34,36) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.03 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543695
(CHEMBL4649886)Show SMILES CC(C)[C@@H](NC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C26H37N5O2/c1-17(2)23(30-20-7-4-3-5-8-20)26(33)31-14-6-9-22(31)25(32)29-16-18-10-11-21-19(15-18)12-13-28-24(21)27/h10-13,15,17,20,22-23,30H,3-9,14,16H2,1-2H3,(H2,27,28)(H,29,32)/t22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418208
(CHEMBL1760666)Show SMILES OC(CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N)C(F)(F)F Show InChI InChI=1S/C22H17F6N3O3/c23-21(24,25)19(32)6-7-30-20(33)18-10-15-8-13(11-29)4-5-17(15)31(18)12-14-2-1-3-16(9-14)34-22(26,27)28/h1-5,8-10,19,32H,6-7,12H2,(H,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.13 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418227
(CHEMBL1760647)Show SMILES CCOc1ccc(OC(F)(F)F)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)CO Show InChI InChI=1S/C25H26F3N3O4/c1-4-34-22-8-6-19(35-25(26,27)28)10-18(22)13-31-20-7-5-16(12-29)9-17(20)11-21(31)23(33)30-14-24(2,3)15-32/h5-11,32H,4,13-15H2,1-3H3,(H,30,33) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.32 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418209
(CHEMBL1760665)Show SMILES CC(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C22H20F3N3O3/c1-14(29)7-8-27-21(30)20-11-17-9-15(12-26)5-6-19(17)28(20)13-16-3-2-4-18(10-16)31-22(23,24)25/h2-6,9-11,14,29H,7-8,13H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.91 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50543696
(CHEMBL4649330)Show SMILES CCC[C@@H](NC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C26H37N5O2/c1-2-7-22(30-20-8-4-3-5-9-20)26(33)31-15-6-10-23(31)25(32)29-17-18-11-12-21-19(16-18)13-14-28-24(21)27/h11-14,16,20,22-23,30H,2-10,15,17H2,1H3,(H2,27,28)(H,29,32)/t22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418204
(CHEMBL1760670)Show SMILES COc1ccc(Br)cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCCO Show InChI InChI=1S/C21H20BrN3O3/c1-28-20-6-4-17(22)10-16(20)13-25-18-5-3-14(12-23)9-15(18)11-19(25)21(27)24-7-2-8-26/h3-6,9-11,26H,2,7-8,13H2,1H3,(H,24,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.33 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50543717
(CHEMBL4639651)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N |r| Show InChI InChI=1S/C30H35ClN6O4S/c1-4-19(2)26(36-42(40,41)16-20-5-8-23(31)9-6-20)29(39)37-18-30(3,17-32)14-25(37)28(38)35-15-21-7-10-24-22(13-21)11-12-34-27(24)33/h5-13,19,25-26,36H,4,14-16,18H2,1-3H3,(H2,33,34)(H,35,38)/t19-,25+,26-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of factor 11a (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418211
(CHEMBL1760662)Show SMILES COc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCC(C)(C)O)C(F)(F)F Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)13-28-21(30)19-10-15-8-14(11-27)4-6-18(15)29(19)12-16-9-17(23(24,25)26)5-7-20(16)32-3/h4-10,31H,12-13H2,1-3H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50543719
(CHEMBL4646710)Show SMILES CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C28H41N5O3/c1-4-18(2)24(32-21-8-6-5-7-9-21)27(35)33-17-28(3,36)15-23(33)26(34)31-16-19-10-11-22-20(14-19)12-13-30-25(22)29/h10-14,18,21,23-24,32,36H,4-9,15-17H2,1-3H3,(H2,29,30)(H,31,34)/t18-,23+,24-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of factor 11a (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50418212
(CHEMBL1760663)Show SMILES CC(C)(O)CCNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,31)8-9-28-21(30)20-12-17-10-15(13-27)6-7-19(17)29(20)14-16-4-3-5-18(11-16)32-23(24,25)26/h3-7,10-12,31H,8-9,14H2,1-2H3,(H,28,30) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description Antagonist activity against human CB1 receptor |
Bioorg Med Chem Lett 21: 2034-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50543720
(CHEMBL4646911)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 |r| Show InChI InChI=1S/C29H36ClN5O5S/c1-4-18(2)25(34-41(39,40)16-19-5-8-22(30)9-6-19)28(37)35-17-29(3,38)14-24(35)27(36)33-15-20-7-10-23-21(13-20)11-12-32-26(23)31/h5-13,18,24-25,34,38H,4,14-17H2,1-3H3,(H2,31,32)(H,33,36)/t18-,24+,25-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of factor 11a (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127072 BindingDB Entry DOI: 10.7270/Q20P13M6 |
More data for this Ligand-Target Pair | |