BDBM50439810 CHEMBL2419716::US9227982, 18

SMILES: O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1

InChI Key: InChIKey=PAYUOEWQFXYUAQ-UHFFFAOYSA-N

Data: 7 IC50

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 = 50439810   

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
Tankyrase 2 PARP catalytic domain (TNKS2P) (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9227982 (2016) BindingDB Entry DOI: 10.7270/Q21R6PBJ
					More data for this Ligand-Target Pair
Tankyrase 1 PARP catalytic domain (TNKS1P) (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9227982 (2016) BindingDB Entry DOI: 10.7270/Q21R6PBJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9227982 (2016) BindingDB Entry DOI: 10.7270/Q21R6PBJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Protein Wnt-3a (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis				J Med Chem 56: 6495-511 (2013) Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB
					More data for this Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse))	BDBM50439810 (CHEMBL2419716 | US9227982, 18) Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...				US Patent US9227982 (2016) BindingDB Entry DOI: 10.7270/Q21R6PBJ
					More data for this Ligand-Target Pair