Found 1094 hits with Last Name = 'metz' and Initial = 'd' 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 |
|---|
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236864
(CHEMBL4096473)Show SMILES [H][C@]12CCC[C@H](N(C)C)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-23(2)16-5-4-6-17-19(16)25(10-9-24(17)20(27)28-3)18(26)12-13-7-8-14(21)15(22)11-13/h7-8,11,16-17,19H,4-6,9-10,12H2,1-3H3/t16-,17-,19+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT. |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403096
(CHEMBL2216895)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r| Show InChI InChI=1S/C20H16FN7/c1-12(26-19-15(10-22)18(23)24-11-25-19)20-27-16-8-7-13(21)9-17(16)28(20)14-5-3-2-4-6-14/h2-9,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50130757
(CHEMBL3634516)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236870
(CHEMBL4064380)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O4/c1-34-22(33)29-9-10-30(20(32)12-14-5-6-16(17(24)11-14)23(25,26)27)21-18(3-2-4-19(21)29)28-8-7-15(31)13-28/h5-6,11,15,18-19,21,31H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236878
(CHEMBL4084350)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H29Cl2N3O3S/c1-30(28,29)26-12-11-25(20(27)14-15-7-8-16(22)17(23)13-15)21-18(5-4-6-19(21)26)24-9-2-3-10-24/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236871
(CHEMBL4069231)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18-,20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236886
(CHEMBL4099849)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H33Cl2N3O3/c1-2-32-23(31)16-28-12-13-29(22(30)15-17-8-9-18(25)19(26)14-17)24-20(6-5-7-21(24)28)27-10-3-4-11-27/h8-9,14,20-21,24H,2-7,10-13,15-16H2,1H3/t20-,21-,24+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236865
(CHEMBL4095192)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403075
(CHEMBL2216902)Show SMILES CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C3CCS(=O)(=O)CC3)n(C)c2n1 Show InChI InChI=1S/C28H36N8O4S/c1-18(2)24-29-21-6-4-5-7-22(21)36(24)27-31-25-23(26(32-27)34-10-12-39-13-11-34)30-28(33(25)3)40-20-16-35(17-20)19-8-14-41(37,38)15-9-19/h4-7,18-20H,8-17H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236874
(CHEMBL4072961)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](F)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C22H28ClF2N3O3/c1-31-22(30)27-9-10-28(20(29)12-14-5-6-17(25)16(23)11-14)21-18(3-2-4-19(21)27)26-8-7-15(24)13-26/h5-6,11,15,18-19,21H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403074
(CHEMBL2216903)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C3)C(=O)C(C)C)n(C)c2n1 Show InChI InChI=1S/C26H32N8O3/c1-5-20-27-18-8-6-7-9-19(18)34(20)25-29-22-21(23(30-25)32-10-12-36-13-11-32)28-26(31(22)4)37-17-14-33(15-17)24(35)16(2)3/h6-9,16-17H,5,10-15H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.576 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236875
(CHEMBL4074031)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H29Cl2N3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-16(22)17(23)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236868
(CHEMBL4091184)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-11-12-26(20(28)13-15-5-7-16(23)8-6-15)21-18(3-2-4-19(21)25)24-10-9-17(27)14-24/h5-8,17-19,21,27H,2-4,9-14H2,1H3/t17-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236872
(CHEMBL4072972)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H31Cl2N3O3/c1-31-22(30)15-27-11-12-28(21(29)14-16-7-8-17(24)18(25)13-16)23-19(5-4-6-20(23)27)26-9-2-3-10-26/h7-8,13,19-20,23H,2-6,9-12,14-15H2,1H3/t19-,20-,23+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236879
(CHEMBL4069149)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H30ClFN4O5S/c25-19-5-4-16(12-20(19)26)13-23(32)29-9-10-30(36(33,34)15-17-7-11-35-27-17)22-3-1-2-21(24(22)29)28-8-6-18(31)14-28/h4-5,7,11-12,18,21-22,24,31H,1-3,6,8-10,13-15H2/t18-,21-,22-,24+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236866
(CHEMBL4061582)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C22H29ClFN3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-17(24)16(23)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236881
(CHEMBL4094571)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(=O)(=O)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H32Cl2N4O3S/c1-25(2)32(30,31)28-13-12-27(21(29)15-16-8-9-17(23)18(24)14-16)22-19(6-5-7-20(22)28)26-10-3-4-11-26/h8-9,14,19-20,22H,3-7,10-13,15H2,1-2H3/t19-,20-,22+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM21130
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1 | PDB
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| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236882
(CHEMBL4096405)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H31ClN4O5S/c25-18-6-4-17(5-7-18)14-23(31)28-11-12-29(35(32,33)16-19-9-13-34-26-19)22-3-1-2-21(24(22)28)27-10-8-20(30)15-27/h4-7,9,13,20-22,24,30H,1-3,8,10-12,14-16H2/t20-,21-,22-,24+/m0/s1 | PDB
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| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403100
(CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236876
(CHEMBL4070248)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H29F2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236873
(CHEMBL4099840)Show SMILES [H][C@]12CCC[C@H](N3CC[C@@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18+,19+,21-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from serotonin transporter of rat brain |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236877
(CHEMBL4064388)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C25H35Cl2N3O3/c1-17(2)33-24(32)16-29-12-13-30(23(31)15-18-8-9-19(26)20(27)14-18)25-21(6-5-7-22(25)29)28-10-3-4-11-28/h8-9,14,17,21-22,25H,3-7,10-13,15-16H2,1-2H3/t21-,22-,25+/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236883
(CHEMBL4092106)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)C(=O)NC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H30Cl2N4O3/c1-26-22(31)23(32)28-11-12-29(20(30)14-15-7-8-16(24)17(25)13-15)21-18(5-4-6-19(21)28)27-9-2-3-10-27/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3,(H,26,31)/t18-,19-,21+/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236869
(CHEMBL4092100)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-10-11-26(20(28)13-15-4-2-5-16(23)12-15)21-18(6-3-7-19(21)25)24-9-8-17(27)14-24/h2,4-5,12,17-19,21,27H,3,6-11,13-14H2,1H3/t17-,18-,19-,21+/m0/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]NE from Norepinephrine transporter of rat brain |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236884
(CHEMBL4060558)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H29ClFN3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-17(23)16(22)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
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UniChem
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236867
(CHEMBL4083401)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C22H29ClFN3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236885
(CHEMBL4088788)Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C21H29ClFN3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-16(22)17(23)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM54795
((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403099
(CHEMBL2216892)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2S/c1-15(32-25-19(13-27)24(28)30-14-31-25)22-21(16-6-4-3-5-7-16)23(29-10-11-36(2,34)35)18-12-17(26)8-9-20(18)33-22/h3-9,12,14-15H,10-11H2,1-2H3,(H,29,33)(H3,28,30,31,32)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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DrugBank
antibodypedia
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UniChem
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PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50236880
(CHEMBL4102311)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-16(2)27-24(32)29-12-13-30(22(31)15-17-8-9-18(25)19(26)14-17)23-20(6-5-7-21(23)29)28-10-3-4-11-28/h8-9,14,16,20-21,23H,3-7,10-13,15H2,1-2H3,(H,27,32)/t20-,21-,23+/m0/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Inhibitory activity towards Beta-Glucosidase from Almond |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403101
(CHEMBL2216890)Show SMILES Cc1c(Nc2cc(cnc2-c2ccc(O)cc2)N2CCOCC2)c2c(F)cc(F)cc2nc1-c1ccccn1 Show InChI InChI=1S/C30H25F2N5O2/c1-18-28(24-4-2-3-9-33-24)35-25-15-20(31)14-23(32)27(25)29(18)36-26-16-21(37-10-12-39-13-11-37)17-34-30(26)19-5-7-22(38)8-6-19/h2-9,14-17,38H,10-13H2,1H3,(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403085
(CHEMBL2216848)Show SMILES CCOC(=O)CCNC(=O)Nc1nc2CCN(Cc2s1)c1cnc(Cl)c(OC)c1 Show InChI InChI=1S/C18H22ClN5O4S/c1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11/h8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403083
(CHEMBL2216850)Show SMILES CCN(CC)C(=O)c1cccc(Nc2nc3ccc(cc3s2)-c2cncc(OC)c2)n1 Show InChI InChI=1S/C23H23N5O2S/c1-4-28(5-2)22(29)19-7-6-8-21(25-19)27-23-26-18-10-9-15(12-20(18)31-23)16-11-17(30-3)14-24-13-16/h6-14H,4-5H2,1-3H3,(H,25,26,27) | PDB
MMDB
NCI pathway
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396616
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35) | PDB
MMDB
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UniChem
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PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403076
(CHEMBL2216901)Show SMILES CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1 Show InChI InChI=1S/C26H32N6OS/c1-30(2)18-7-10-31(11-8-18)17-19-16-23-24(34-19)26(32-12-14-33-15-13-32)29-25(28-23)21-4-3-5-22-20(21)6-9-27-22/h3-6,9,16,18,27H,7-8,10-15,17H2,1-2H3 | PDB
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PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403098
(CHEMBL2216893 | US8754089, 4-amino-6-(((1S)-1-(6-m...)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-17-28-19(14(2)27-21-16(11-23)20(24)25-12-26-21)18(22(30)29(13)17)15-8-4-3-5-9-15/h3-10,12,14H,1-2H3,(H3,24,25,26,27)/t14-/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Zinc finger protein 664
(Cavia porcellus) | BDBM50001028
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 | UniProtKB/SwissProt
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1-type opioid receptor in guinea pig cortex membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Zinc finger protein 664
(Cavia porcellus) | 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 | UniProtKB/SwissProt
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396610
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403092
(CHEMBL2216871 | US8691829, 4a)Show SMILES CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28/h3-12,14H,1-2H3,(H2,23,24,25) | PDB
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM54795
((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissue |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403084
(CHEMBL2216849)Show SMILES CCNC(=O)Nc1nc2ccc(cc2s1)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4OS/c1-2-21-14(24)23-15-22-12-4-3-9(6-13(12)25-15)10-5-11(8-20-7-10)16(17,18)19/h3-8H,2H2,1H3,(H2,21,22,23,24) | PDB
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| CHEMBL
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UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
J Med Chem 55: 8559-81 (2012)
Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396611
(CHEMBL2171927 | US8765940, 4-(1-(7-fluoro-3-methyl...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C29H25FN6/c1-17-26(23-6-4-5-12-32-23)34-24-15-19(30)8-9-20(24)27(17)36-16-29(2,3)21-10-7-18(14-25(21)36)22-11-13-33-28(31)35-22/h4-15H,16H2,1-3H3,(H2,31,33,35) | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396614
(CHEMBL2171931 | US8765940, 1'-(7-fluoro-3-meth...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C30H30FN5O2/c1-20-27(24-4-2-3-9-32-24)34-25-16-21(31)5-6-23(25)28(20)36-19-30(7-12-37-13-8-30)29-26(36)17-22(18-33-29)35-10-14-38-15-11-35/h2-6,9,16-18H,7-8,10-15,19H2,1H3 | PDB
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50396616
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35) | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
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PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50236881
(CHEMBL4094571)Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(=O)(=O)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H32Cl2N4O3S/c1-25(2)32(30,31)28-13-12-27(21(29)15-16-8-9-17(23)18(24)14-16)22-19(6-5-7-20(22)28)26-10-3-4-11-26/h8-9,14,19-20,22H,3-7,10-13,15H2,1-2H3/t19-,20-,22+/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting |
J Med Chem 60: 2526-2551 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01868
BindingDB Entry DOI: 10.7270/Q20C4Z1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50396616
(CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35) | PDB
MMDB
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Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50396610
(CHEMBL2171929 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u
BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this
Ligand-Target Pair | |
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