BDBM50396238 CHEMBL2172212::US9402842, 62

SMILES: NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O

InChI Key: InChIKey=AEJWFHDNVYSNLA-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 = 50396238   

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
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 | US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.5	25
Purdue Research Foundation US Patent					Assay Description Tdp1 reactions were performed as recently described. Briefly, a 5'-[32P]-labeled single-stranded DNA oligonucleotide containing a 3'-phosphotyrosine ...				US Patent US8912213 (2014) BindingDB Entry DOI: 10.7270/Q2FN14XB
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 | US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.5	25
Purdue Research Foundation US Patent					Assay Description A 5′-[32P]-labeled single-stranded DNA oligonucleotide containing a 3′-phosphotyrosine (N14Y) was generated as described by Dexheimer et ...				US Patent US9402842 (2016) BindingDB Entry DOI: 10.7270/Q2H41Q9R
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 | US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RXRE-luciferase reporter gene assay				J Med Chem 56: 2581-605 (2013) Article DOI: 10.1021/jm400026k BindingDB Entry DOI: 10.7270/Q2G44RNG
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 | US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate...				J Med Chem 56: 182-200 (2013) Article DOI: 10.1021/jm3014458 BindingDB Entry DOI: 10.7270/Q2MS3V3Z
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50396238 (CHEMBL2172212 | US9402842, 62) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a
The University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...				J Med Chem 55: 5965-81 (2012) Article DOI: 10.1021/jm3006806 BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
					More data for this Ligand-Target Pair