BDBM50009454 CHEMBL3234136

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=PWTPHMJTGGEKCZ-SJSXQSQASA-O

Data: 2 IC50  4 Kd

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 6 hits for monomerid = 50009454   

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
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay				J Med Chem 57: 2874-83 (2014) Article DOI: 10.1021/jm401487x BindingDB Entry DOI: 10.7270/Q2571DJ3
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to CBX7 (unknown origin) by isothermal titration calorimetry assay				J Med Chem 57: 2874-83 (2014) Article DOI: 10.1021/jm401487x BindingDB Entry DOI: 10.7270/Q2571DJ3
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of N terminally fluorescein-tagged H3K27me3 binding to N terminallyHis6-tagged human Cbx7 expressed in Escherichia coli BL21 (DE3) by fluo...				Eur J Med Chem 136: 14-35 (2017) Article DOI: 10.1016/j.ejmech.2017.04.047 BindingDB Entry DOI: 10.7270/Q2F76G3G
					More data for this Ligand-Target Pair
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to CBX4 (unknown origin) by isothermal titration calorimetry assay				J Med Chem 57: 2874-83 (2014) Article DOI: 10.1021/jm401487x BindingDB Entry DOI: 10.7270/Q2571DJ3
					More data for this Ligand-Target Pair
Chromobox protein homolog 1 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to CBX1 (unknown origin) by isothermal titration calorimetry assay				J Med Chem 57: 2874-83 (2014) Article DOI: 10.1021/jm401487x BindingDB Entry DOI: 10.7270/Q2571DJ3
					More data for this Ligand-Target Pair
Chromobox protein homolog 8 (Homo sapiens (Human))	BDBM50009454 (CHEMBL3234136) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay				J Med Chem 57: 2874-83 (2014) Article DOI: 10.1021/jm401487x BindingDB Entry DOI: 10.7270/Q2571DJ3
					More data for this Ligand-Target Pair