Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.3 BDBM67995Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67995 (1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...) Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67995 (1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...) Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67995 (1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...) Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (Homo sapiens (Human))	BDBM67995 (1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...) Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2930RT9
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM67995 (1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...) Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DV1HJQ
					More data for this Ligand-Target Pair