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BDBM50164199 3,9-difluoro-12-(5-fluoro-3,4,5-trihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione::CHEMBL189270

SMILES: OCC1OC(C(O)C(O)C1(F)F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12

InChI Key: InChIKey=BFHMVGJYMICIPN-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50164199   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))		BDBM50164199
PNG
(3,9-difluoro-12-(5-fluoro-3,4,5-trihydroxy-6-hydro...)
Show SMILES OCC1OC(C(O)C(O)C1(F)F)n1c2ccc(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)ccc4[nH]c3c12
Show InChI InChI=1S/C26H17F4N3O6/c27-8-1-3-12-10(5-8)15-17-18(24(38)32-23(17)37)16-11-6-9(28)2-4-13(11)33(20(16)19(15)31-12)25-21(35)22(36)26(29,30)14(7-34)39-25/h1-6,14,21-22,25,31,34-36H,7H2,(H,32,37,38)
PDB

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antibodypedia
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PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 80n/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Topoisomerase I activity for single-strand breaks in the DNA substrate

J Med Chem 48: 2258-61 (2005)


Article DOI: 10.1021/jm049090z
BindingDB Entry DOI: 10.7270/Q20G3JP5
More data for this
Ligand-Target Pair