Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.9 BDBM29666Purchase

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

Found 6 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
Runt-related transcription factor 1 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25D8Q6Q
					More data for this Ligand-Target Pair
Runt-related transcription factor 1 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2T72FSX
					More data for this Ligand-Target Pair
Runt-related transcription factor 1 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DV1H7P
					More data for this Ligand-Target Pair
Runt-related transcription factor 1 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2959FWK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+4	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: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM29666 ((9-Oxo-9H-acridin-10-yl)-acetic acid [1-(4-chloro-...) Show SMILES Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5| Show InChI InChI=1S/C28H23ClN4O2/c1-18-15-20(19(2)33(18)22-13-11-21(29)12-14-22)16-30-31-27(34)17-32-25-9-5-3-7-23(25)28(35)24-8-4-6-10-26(24)32/h3-16H,17H2,1-2H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+4	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: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair