Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2' and Ligand = 'BDBM50250876' 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-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |