Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50495334' 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 |
|---|
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50495334
(CHEMBL3109647)Show SMILES OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1 |r,wU:3.2,wD:6.6,(28.1,-25.27,;28.1,-23.73,;29.44,-22.98,;26.77,-22.95,;25.43,-23.71,;24.11,-22.94,;24.12,-21.4,;22.79,-20.63,;21.46,-21.4,;21.46,-22.94,;22.79,-23.71,;20.12,-23.71,;20.11,-25.25,;18.78,-26.02,;17.45,-25.24,;16.11,-26.01,;16.11,-27.55,;17.45,-28.31,;18.78,-27.55,;20.11,-28.31,;21.45,-29.08,;17.45,-29.85,;18.79,-30.63,;16.12,-30.63,;17.44,-31.39,;18.79,-22.94,;17.45,-23.71,;16.12,-22.94,;16.12,-21.4,;17.45,-20.63,;18.79,-21.39,;20.12,-20.62,;20.12,-19.08,;25.45,-20.63,;26.78,-21.41,)| Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)20-6-3-4-17(19(20)12-29)14-30-21-7-2-1-5-18(21)22(32)31(24(30)35)13-15-8-10-16(11-9-15)23(33)34/h1-7,15-16H,8-11,13-14H2,(H,33,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 after 1 to 2 hrs by fluorescence polarization method |
ACS Med Chem Lett 5: 10-1 (2014)
Article DOI: 10.1021/ml400508g
BindingDB Entry DOI: 10.7270/Q2J10646 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50495334
(CHEMBL3109647)Show SMILES OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1 |r,wU:3.2,wD:6.6,(28.1,-25.27,;28.1,-23.73,;29.44,-22.98,;26.77,-22.95,;25.43,-23.71,;24.11,-22.94,;24.12,-21.4,;22.79,-20.63,;21.46,-21.4,;21.46,-22.94,;22.79,-23.71,;20.12,-23.71,;20.11,-25.25,;18.78,-26.02,;17.45,-25.24,;16.11,-26.01,;16.11,-27.55,;17.45,-28.31,;18.78,-27.55,;20.11,-28.31,;21.45,-29.08,;17.45,-29.85,;18.79,-30.63,;16.12,-30.63,;17.44,-31.39,;18.79,-22.94,;17.45,-23.71,;16.12,-22.94,;16.12,-21.4,;17.45,-20.63,;18.79,-21.39,;20.12,-20.62,;20.12,-19.08,;25.45,-20.63,;26.78,-21.41,)| Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)20-6-3-4-17(19(20)12-29)14-30-21-7-2-1-5-18(21)22(32)31(24(30)35)13-15-8-10-16(11-9-15)23(33)34/h1-7,15-16H,8-11,13-14H2,(H,33,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00160
BindingDB Entry DOI: 10.7270/Q2W099KF |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50495334
(CHEMBL3109647)Show SMILES OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1 |r,wU:3.2,wD:6.6,(28.1,-25.27,;28.1,-23.73,;29.44,-22.98,;26.77,-22.95,;25.43,-23.71,;24.11,-22.94,;24.12,-21.4,;22.79,-20.63,;21.46,-21.4,;21.46,-22.94,;22.79,-23.71,;20.12,-23.71,;20.11,-25.25,;18.78,-26.02,;17.45,-25.24,;16.11,-26.01,;16.11,-27.55,;17.45,-28.31,;18.78,-27.55,;20.11,-28.31,;21.45,-29.08,;17.45,-29.85,;18.79,-30.63,;16.12,-30.63,;17.44,-31.39,;18.79,-22.94,;17.45,-23.71,;16.12,-22.94,;16.12,-21.4,;17.45,-20.63,;18.79,-21.39,;20.12,-20.62,;20.12,-19.08,;25.45,-20.63,;26.78,-21.41,)| Show InChI InChI=1S/C25H22F3N3O4/c26-25(27,28)20-6-3-4-17(19(20)12-29)14-30-21-7-2-1-5-18(21)22(32)31(24(30)35)13-15-8-10-16(11-9-15)23(33)34/h1-7,15-16H,8-11,13-14H2,(H,33,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human TNKS1 incubated for 30 mins prior to substrate addition measured after 2 hrs by HTRF method |
ACS Med Chem Lett 5: 10-1 (2014)
Article DOI: 10.1021/ml400508g
BindingDB Entry DOI: 10.7270/Q2J10646 |
More data for this
Ligand-Target Pair | |
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