BDBM50388546 CHEMBL213072::CHEMBL333363

SMILES: NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O

InChI Key: InChIKey=JWMIPWLLAVVHDH-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 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 = 50388546   

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))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	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	8.66E+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))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-p...				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	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
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human))	BDBM50388546 (CHEMBL213072 | CHEMBL333363) Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed a...				J Med Chem 55: 4457-78 (2012) Article DOI: 10.1021/jm300335n BindingDB Entry DOI: 10.7270/Q2SB46TZ
					More data for this Ligand-Target Pair