Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50048929 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 |
|---|
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077217
(CHEMBL3416885)Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077213
(CHEMBL3416860)Show SMILES Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H28N2O2/c1-21-27(24-12-6-8-14-26(24)31(21)19-22-9-3-2-4-10-22)28(32)30-17-15-29(16-18-30)25-13-7-5-11-23(25)20-33-29/h2-14H,15-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077206
(CHEMBL3416861)Show SMILES Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21 Show InChI InChI=1S/C21H19ClN2O2/c22-15-5-6-16-17(12-23-19(16)11-15)20(25)24-9-7-21(8-10-24)18-4-2-1-3-14(18)13-26-21/h1-6,11-12,23H,7-10,13H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077462
(CHEMBL3416859)Show SMILES CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc21 Show InChI InChI=1S/C25H25NO3/c1-2-28-22-12-11-18-7-3-5-9-20(18)23(22)24(27)26-15-13-25(14-16-26)21-10-6-4-8-19(21)17-29-25/h3-12H,2,13-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077460
(CHEMBL3416864)Show SMILES Cc1c(C(=O)N2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-22-27(25-14-8-9-15-26(25)31(22)21-24-12-6-3-7-13-24)28(32)30-18-16-29(33,17-19-30)20-23-10-4-2-5-11-23/h2-15,33H,16-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50077454
(CHEMBL3416858)Show SMILES CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H27NO3/c1-2-29-22-13-12-20-10-6-7-11-21(20)23(22)24(27)26-16-14-25(28,15-17-26)18-19-8-4-3-5-9-19/h3-13,28H,2,14-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Antagonist activity at human vasopressin 1a receptor |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229708
(CHEMBL4069862)Show InChI InChI=1S/C13H14N2S/c1-2-4-10(5-3-1)13-14-8-11-6-7-16-9-12(11)15-13/h1-5H,6-9H2,(H,14,15) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229706
(CHEMBL4080549)Show InChI InChI=1S/C13H12N2S/c1-2-4-10(5-3-1)13-14-8-11-9-16-7-6-12(11)15-13/h1-5,8H,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229707
(CHEMBL4098578)Show SMILES C(CN1CCOCC1)NCc1ccc(cc1)-c1ccc2C=CCNc2c1 |c:22| Show InChI InChI=1S/C22H27N3O/c1-2-20-7-8-21(16-22(20)24-9-1)19-5-3-18(4-6-19)17-23-10-11-25-12-14-26-15-13-25/h1-8,16,23-24H,9-15,17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364776
(CHEMBL1952141 | CHEMBL1952329)Show SMILES CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Show InChI InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229705
(CHEMBL4103924)Show SMILES C1OCN(C1c1ccccc1)c1ccc(cc1)-c1cncc(c1)-c1ncccn1 Show InChI InChI=1S/C24H20N4O/c1-2-5-19(6-3-1)23-16-29-17-28(23)22-9-7-18(8-10-22)20-13-21(15-25-14-20)24-26-11-4-12-27-24/h1-15,23H,16-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364787
(CHEMBL1952107)Show InChI InChI=1S/C18H14FN5O/c19-13-3-1-12(2-4-13)11-20-17-10-9-16-18(21-17)24(23-22-16)14-5-7-15(25)8-6-14/h1-10,25H,11H2,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364806
(CHEMBL1952328)Show InChI InChI=1S/C19H15FN4O/c20-15-5-1-13(2-6-15)11-21-18-9-10-19-22-12-17(24(19)23-18)14-3-7-16(25)8-4-14/h1-10,12,25H,11H2,(H,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50364792
(CHEMBL1952112)Show SMILES CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 Show InChI InChI=1S/C19H21F3N6O/c1-27-9-7-13(8-10-27)12-23-17-6-5-16-18(24-17)28(26-25-16)14-3-2-4-15(11-14)29-19(20,21)22/h2-6,11,13H,7-10,12H2,1H3,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of PIM1 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229709
(CHEMBL4090855)Show InChI InChI=1S/C13H14N2O/c1-2-4-10(5-3-1)13-14-8-11-9-16-7-6-12(11)15-13/h1-5H,6-9H2,(H,14,15) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50229710
(CHEMBL4076784)Show InChI InChI=1S/C14H24N4S/c1-2-6-12(7-3-1)8-4-5-9-15-13-16-17-14-18(13)10-11-19-14/h12H,1-11H2,(H,15,16) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universit£t
Curated by ChEMBL
| Assay Description
Inhibition of tankyrase-2 (unknown origin) |
J Med Chem 60: 1238-1246 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01437
BindingDB Entry DOI: 10.7270/Q2KK9F10 |
More data for this
Ligand-Target Pair | |
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