BDBM50089867 CHEMBL3577626

SMILES: Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1

InChI Key: InChIKey=HHQJCXWKFODTFE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50089867   

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 1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50089867 (CHEMBL3577626) Show SMILES Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3O3/c20-13-6-5-12(15(21)11-13)7-9-22-18(26)14-3-1-2-4-16(14)24-10-8-17(25)23-19(24)27/h1-6,11H,7-10H2,(H,22,26)(H,23,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair