BDBM50234919 CHEMBL1956162

SMILES: [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=LFGACFGWTJMDPZ-ALFLXDJESA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50234919   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expressed in Baculovirus infected Sf9 cells using TACS-Sapphire as substrate ...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin)				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells measured after 1 hr by ch...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50234919 (CHEMBL1956162) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(C(=O)[C@@]21[H])c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,20-21H,6-7,13H2,(H,27,29)/t16-,17+,20-,21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire a...				J Med Chem 60: 814-820 (2017) BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair