Found 552 hits with Last Name = 'yue' and Initial = 'l' 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)) | BDBM50516264
(CHEMBL4463013)Show SMILES COCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O2/c1-34(15-16-38-2)27(37)32-19-11-13-35(14-12-19)25-23-26(31-17-30-25)36(20-9-7-18(28)8-10-20)24(33-23)21-5-3-4-6-22(21)29/h3-10,17,19H,11-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516261
(CHEMBL4466640)Show SMILES CC(C)CN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H31Cl2N7O/c1-18(2)16-35(3)28(38)33-20-12-14-36(15-13-20)26-24-27(32-17-31-26)37(21-10-8-19(29)9-11-21)25(34-24)22-6-4-5-7-23(22)30/h4-11,17-18,20H,12-16H2,1-3H3,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516262
(CHEMBL4567690)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N7O/c31-21-10-12-23(13-11-21)39-27(24-8-4-5-9-25(24)32)37-26-28(34-19-35-29(26)39)38-16-14-22(15-17-38)36-30(40)33-18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H2,33,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516249
(CHEMBL4524602)Show SMILES CCCN(C)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29Cl2N7O/c1-3-14-34(2)27(37)32-19-12-15-35(16-13-19)25-23-26(31-17-30-25)36(20-10-8-18(28)9-11-20)24(33-23)21-6-4-5-7-22(21)29/h4-11,17,19H,3,12-16H2,1-2H3,(H,32,37) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516238
(CHEMBL4578966)Show SMILES CCCN(CC(F)(F)F)C(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H28Cl2F3N7O/c1-2-13-39(16-28(31,32)33)27(41)36-19-11-14-38(15-12-19)25-23-26(35-17-34-25)40(20-9-7-18(29)8-10-20)24(37-23)21-5-3-4-6-22(21)30/h3-10,17,19H,2,11-16H2,1H3,(H,36,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516250
(CHEMBL4450173)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)N1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-19-8-10-21(11-9-19)37-25(22-6-2-3-7-23(22)30)34-24-26(31-18-32-27(24)37)35-16-12-20(13-17-35)33-28(38)36-14-4-1-5-15-36/h2-3,6-11,18,20H,1,4-5,12-17H2,(H,33,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516237
(CHEMBL4533562)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h4-5,8-13,18,20-21H,1-3,6-7,14-17H2,(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516260
(CHEMBL4534007)Show SMILES Fc1ccccc1CNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-9-11-22(12-10-20)40-27(23-6-2-3-7-24(23)32)38-26-28(35-18-36-29(26)40)39-15-13-21(14-16-39)37-30(41)34-17-19-5-1-4-8-25(19)33/h1-12,18,21H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072516
(CHEMBL419374 | {(S)-4-(3,3-Dimethyl-butyl)-7-[(1H-...)Show SMILES CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCC(C)(C)C)Cc2c1 Show InChI InChI=1S/C26H32N6O4/c1-26(2,3)9-11-32-14-17-12-16(7-8-18(17)28-20(25(32)36)13-22(33)34)24(35)31(4)15-21-29-19-6-5-10-27-23(19)30-21/h5-8,10,12,20,28H,9,11,13-15H2,1-4H3,(H,33,34)(H,27,29,30)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072504
(CHEMBL321648 | [(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1 Show InChI InChI=1S/C23H26N6O5/c1-28(13-19-26-17-4-3-7-24-21(17)27-19)22(32)14-5-6-16-15(10-14)12-29(8-9-34-2)23(33)18(25-16)11-20(30)31/h3-7,10,18,25H,8-9,11-13H2,1-2H3,(H,30,31)(H,24,26,27)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516256
(CHEMBL4555599)Show SMILES Fc1ccc(CNC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C30H26Cl2FN7O/c31-20-7-11-23(12-8-20)40-27(24-3-1-2-4-25(24)32)38-26-28(35-18-36-29(26)40)39-15-13-22(14-16-39)37-30(41)34-17-19-5-9-21(33)10-6-19/h1-12,18,22H,13-17H2,(H2,34,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072509
(CHEMBL107927 | {(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)Show SMILES CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C21H22N6O4/c1-26-10-13-8-12(5-6-14(13)23-16(21(26)31)9-18(28)29)20(30)27(2)11-17-24-15-4-3-7-22-19(15)25-17/h3-8,16,23H,9-11H2,1-2H3,(H,28,29)(H,22,24,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072507
(CHEMBL418818 | {(S)-4-Methyl-7-[methyl-(5-methyl-1...)Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H24N6O4/c1-12-4-6-16-20(23-12)26-18(25-16)11-28(3)21(31)13-5-7-15-14(8-13)10-27(2)22(32)17(24-15)9-19(29)30/h4-8,17,24H,9-11H2,1-3H3,(H,29,30)(H,23,25,26)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516251
(CHEMBL4449377)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C28H29Cl2N7O/c29-18-9-11-21(12-10-18)37-25(22-7-3-4-8-23(22)30)35-24-26(31-17-32-27(24)37)36-15-13-20(14-16-36)34-28(38)33-19-5-1-2-6-19/h3-4,7-12,17,19-20H,1-2,5-6,13-16H2,(H2,33,34,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516257
(CHEMBL4519913)Show SMILES Fc1ccccc1NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H24Cl2FN7O/c30-18-9-11-20(12-10-18)39-26(21-5-1-2-6-22(21)31)37-25-27(33-17-34-28(25)39)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h1-12,17,19H,13-16H2,(H2,35,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072505
(CHEMBL110520 | {(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)Show SMILES CC(C)N1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1 Show InChI InChI=1S/C23H26N6O4/c1-13(2)29-11-15-9-14(6-7-16(15)25-18(23(29)33)10-20(30)31)22(32)28(3)12-19-26-17-5-4-8-24-21(17)27-19/h4-9,13,18,25H,10-12H2,1-3H3,(H,30,31)(H,24,26,27)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516242
(CHEMBL4535004)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F Show InChI InChI=1S/C30H26Cl2FN7O/c1-30(38-29(41)36-24-9-5-4-8-23(24)33)14-16-39(17-15-30)27-25-28(35-18-34-27)40(20-12-10-19(31)11-13-20)26(37-25)21-6-2-3-7-22(21)32/h2-13,18H,14-17H2,1H3,(H2,36,38,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaIIb-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516253
(CHEMBL4454168)Show SMILES CC1(CCC(F)(F)CC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H31Cl2F2N7O/c1-29(12-14-30(33,34)15-13-29)39-28(42)37-20-10-16-40(17-11-20)26-24-27(36-18-35-26)41(21-8-6-19(31)7-9-21)25(38-24)22-4-2-3-5-23(22)32/h2-9,18,20H,10-17H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516246
(CHEMBL4453295)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C30H25Cl2F2N7O/c1-30(39-29(42)37-24-11-8-19(33)16-23(24)34)12-14-40(15-13-30)27-25-28(36-17-35-27)41(20-9-6-18(31)7-10-20)26(38-25)21-4-2-3-5-22(21)32/h2-11,16-17H,12-15H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-5
(Homo sapiens (Human)) | BDBM50126594
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516252
(CHEMBL4590515)Show SMILES FC(F)(F)C1(CCCC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H28Cl2F3N7O/c30-18-7-9-20(10-8-18)41-24(21-5-1-2-6-22(21)31)38-23-25(35-17-36-26(23)41)40-15-11-19(12-16-40)37-27(42)39-28(29(32,33)34)13-3-4-14-28/h1-2,5-10,17,19H,3-4,11-16H2,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126597
(4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-pheny...)Show SMILES CNc1cccc(CCOc2ccc(C[C@@H](CC(O)=O)c3ccccc3)cc2)n1 Show InChI InChI=1S/C24H26N2O3/c1-25-23-9-5-8-21(26-23)14-15-29-22-12-10-18(11-13-22)16-20(17-24(27)28)19-6-3-2-4-7-19/h2-13,20H,14-17H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516239
(CHEMBL4462028)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)Nc1ccccc1)-c1ccccc1Cl Show InChI InChI=1S/C29H25Cl2N7O/c30-19-10-12-22(13-11-19)38-26(23-8-4-5-9-24(23)31)36-25-27(32-18-33-28(25)38)37-16-14-21(15-17-37)35-29(39)34-20-6-2-1-3-7-20/h1-13,18,21H,14-17H2,(H2,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516265
(CHEMBL4438188)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NS(=O)(=O)NC1CCCCC1 Show InChI InChI=1S/C29H33Cl2N7O2S/c1-29(36-41(39,40)35-21-7-3-2-4-8-21)15-17-37(18-16-29)27-25-28(33-19-32-27)38(22-13-11-20(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h5-6,9-14,19,21,35-36H,2-4,7-8,15-18H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072513
(CHEMBL105982 | {(S)-7-[Methyl-(5-methyl-1H-imidazo...)Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)NCc2c1 Show InChI InChI=1S/C21H22N6O4/c1-11-3-5-15-19(23-11)26-17(25-15)10-27(2)21(31)12-4-6-14-13(7-12)9-22-20(30)16(24-14)8-18(28)29/h3-7,16,24H,8-10H2,1-2H3,(H,22,30)(H,28,29)(H,23,25,26)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126596
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516244
(CHEMBL4532150)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C30H33Cl2N7O/c1-30(37-29(40)35-21-7-3-2-4-8-21)15-17-38(18-16-30)27-25-28(34-19-33-27)39(22-13-11-20(31)12-14-22)26(36-25)23-9-5-6-10-24(23)32/h5-6,9-14,19,21H,2-4,7-8,15-18H2,1H3,(H2,35,37,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072517
(CHEMBL320939 | {(S)-4-Benzyl-7-[methyl-(5-methyl-1...)Show SMILES CN(Cc1nc2nc(C)ccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C28H28N6O4/c1-17-8-10-22-26(29-17)32-24(31-22)16-33(2)27(37)19-9-11-21-20(12-19)15-34(14-18-6-4-3-5-7-18)28(38)23(30-21)13-25(35)36/h3-12,23,30H,13-16H2,1-2H3,(H,35,36)(H,29,31,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516236
(CHEMBL4473591)Show SMILES Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)c(F)c1 Show InChI InChI=1S/C29H23Cl2F2N7O/c30-17-5-8-20(9-6-17)40-26(21-3-1-2-4-22(21)31)38-25-27(34-16-35-28(25)40)39-13-11-19(12-14-39)36-29(41)37-24-10-7-18(32)15-23(24)33/h1-10,15-16,19H,11-14H2,(H2,36,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516240
(CHEMBL4443398)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NCc1ccccc1F Show InChI InChI=1S/C31H28Cl2FN7O/c1-31(39-30(42)35-18-20-6-2-5-9-25(20)34)14-16-40(17-15-31)28-26-29(37-19-36-28)41(22-12-10-21(32)11-13-22)27(38-26)23-7-3-4-8-24(23)33/h2-13,19H,14-18H2,1H3,(H2,35,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516245
(CHEMBL4452900)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)NC1CCC(F)(F)CC1 Show InChI InChI=1S/C30H31Cl2F2N7O/c1-29(39-28(42)37-20-10-12-30(33,34)13-11-20)14-16-40(17-15-29)26-24-27(36-18-35-26)41(21-8-6-19(31)7-9-21)25(38-24)22-4-2-3-5-23(22)32/h2-9,18,20H,10-17H2,1H3,(H2,37,39,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516243
(CHEMBL4450343)Show SMILES FC1(F)CCC(CC1)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29Cl2F2N7O/c30-18-5-7-21(8-6-18)40-25(22-3-1-2-4-23(22)31)38-24-26(34-17-35-27(24)40)39-15-11-20(12-16-39)37-28(41)36-19-9-13-29(32,33)14-10-19/h1-8,17,19-20H,9-16H2,(H2,36,37,41) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516254
(CHEMBL4436064)Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)NCC1CCCC1)-c1ccccc1Cl Show InChI InChI=1S/C29H31Cl2N7O/c30-20-9-11-22(12-10-20)38-26(23-7-3-4-8-24(23)31)36-25-27(33-18-34-28(25)38)37-15-13-21(14-16-37)35-29(39)32-17-19-5-1-2-6-19/h3-4,7-12,18-19,21H,1-2,5-6,13-17H2,(H2,32,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072506
(CHEMBL110506 | {(S)-7-[(5H-Imidazo[4,5-c]pyridazin...)Show SMILES CN(Cc1nc2nnccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C20H21N7O4/c1-26-9-12-7-11(3-4-13(12)22-15(20(26)31)8-17(28)29)19(30)27(2)10-16-23-14-5-6-21-25-18(14)24-16/h3-7,15,22H,8-10H2,1-2H3,(H,28,29)(H,23,24,25)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516235
(CHEMBL4563408)Show SMILES FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H24Cl2F2N8O2/c30-17-5-8-20(9-6-17)41-25(21-3-1-2-4-22(21)31)39-24-26(35-16-36-27(24)41)40-13-11-18(12-14-40)37-29(42)38-19-7-10-23(34-15-19)43-28(32)33/h1-10,15-16,18,28H,11-14H2,(H2,37,38,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516258
(CHEMBL4570109)Show SMILES Fc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C29H24Cl2FN7O/c30-18-5-11-22(12-6-18)39-26(23-3-1-2-4-24(23)31)37-25-27(33-17-34-28(25)39)38-15-13-21(14-16-38)36-29(40)35-20-9-7-19(32)8-10-20/h1-12,17,21H,13-16H2,(H2,35,36,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072510
(CHEMBL419013 | {(S)-4-Methyl-7-[methyl-(7H-purin-8...)Show SMILES CN(Cc1nc2ncncc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C20H21N7O4/c1-26-8-12-5-11(3-4-13(12)23-14(20(26)31)6-17(28)29)19(30)27(2)9-16-24-15-7-21-10-22-18(15)25-16/h3-5,7,10,14,23H,6,8-9H2,1-2H3,(H,28,29)(H,21,22,24,25)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516255
(CHEMBL4552147)Show SMILES FC1(F)CCC(CNC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C30H31Cl2F2N7O/c31-20-5-7-22(8-6-20)41-26(23-3-1-2-4-24(23)32)39-25-27(36-18-37-28(25)41)40-15-11-21(12-16-40)38-29(42)35-17-19-9-13-30(33,34)14-10-19/h1-8,18-19,21H,9-17H2,(H2,35,38,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50126594
(3-Phenyl-4-{4-[3-(pyridin-2-ylamino)-propoxy]-phen...)Show InChI InChI=1S/C24H26N2O3/c27-24(28)18-21(20-7-2-1-3-8-20)17-19-10-12-22(13-11-19)29-16-6-15-26-23-9-4-5-14-25-23/h1-5,7-14,21H,6,15-18H2,(H,25,26)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072515
(CHEMBL110180 | {(S)-4-Methyl-7-[(5-methyl-1H-imida...)Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2nc(C)ccc2[nH]1 Show InChI InChI=1S/C21H22N6O4/c1-11-3-5-15-19(23-11)26-17(25-15)9-22-20(30)12-4-6-14-13(7-12)10-27(2)21(31)16(24-14)8-18(28)29/h3-7,16,24H,8-10H2,1-2H3,(H,22,30)(H,28,29)(H,23,25,26)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072512
(CHEMBL108148 | {(S)-4-(2-Methoxy-ethyl)-7-[(5-meth...)Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1nc2nc(C)ccc2[nH]1 Show InChI InChI=1S/C23H26N6O5/c1-13-3-5-17-21(25-13)28-19(27-17)11-24-22(32)14-4-6-16-15(9-14)12-29(7-8-34-2)23(33)18(26-16)10-20(30)31/h3-6,9,18,26H,7-8,10-12H2,1-2H3,(H,24,32)(H,30,31)(H,25,27,28)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516259
(CHEMBL4521215)Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H23Cl2F3N8O/c30-17-5-8-20(9-6-17)42-25(21-3-1-2-4-22(21)31)40-24-26(36-16-37-27(24)42)41-13-11-18(12-14-41)38-28(43)39-19-7-10-23(35-15-19)29(32,33)34/h1-10,15-16,18H,11-14H2,(H2,38,39,43) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072514
(CHEMBL177255 | {(S)-4-Benzyl-7-[(5-methyl-1H-imida...)Show SMILES Cc1ccc2[nH]c(CNC(=O)c3ccc4N[C@@H](CC(O)=O)C(=O)N(Cc5ccccc5)Cc4c3)nc2n1 Show InChI InChI=1S/C27H26N6O4/c1-16-7-9-21-25(29-16)32-23(31-21)13-28-26(36)18-8-10-20-19(11-18)15-33(14-17-5-3-2-4-6-17)27(37)22(30-20)12-24(34)35/h2-11,22,30H,12-15H2,1H3,(H,28,36)(H,34,35)(H,29,31,32)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50516247
(CHEMBL4440543)Show SMILES CC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)NC(=O)Nc1ccc(OC(F)F)nc1 Show InChI InChI=1S/C30H26Cl2F2N8O2/c1-30(40-29(43)38-19-8-11-23(35-16-19)44-28(33)34)12-14-41(15-13-30)26-24-27(37-17-36-26)42(20-9-6-18(31)7-10-20)25(39-24)21-4-2-3-5-22(21)32/h2-11,16-17,28H,12-15H2,1H3,(H2,38,40,43) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes |
J Med Chem 62: 6330-6345 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50072511
(CHEMBL105871 | {(S)-7-[(5-Methyl-1H-imidazo[4,5-b]...)Show SMILES Cc1ccc2[nH]c(CNC(=O)c3ccc4N[C@@H](CC(O)=O)C(=O)NCc4c3)nc2n1 Show InChI InChI=1S/C20H20N6O4/c1-10-2-4-14-18(23-10)26-16(25-14)9-22-19(29)11-3-5-13-12(6-11)8-21-20(30)15(24-13)7-17(27)28/h2-6,15,24H,7-9H2,1H3,(H,21,30)(H,22,29)(H,27,28)(H,23,25,26)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
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