BDBM50194263 CHEMBL3970021

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1

InChI Key: InChIKey=UKJWSRUUPHPDEX-FRJISQSVSA-O

Data: 5 IC50  1 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 = 50194263   

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 8 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human N-terminal His-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair
Chromodomain Y-like protein 2 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human C-terminal His-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Binding affinity to human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair
Chromobox protein homolog 5 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human N-terminal His-tagged CBX5 chromodomain (18 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50194263 (CHEMBL3970021) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C40H59N7O9/c1-26(2)22-31(39(54)44-30(20-14-15-21-47(4,5)6)37(52)46-33(25-48)40(55)56-7)45-35(50)27(3)42-38(53)32(23-28-16-10-8-11-17-28)43-34(49)24-41-36(51)29-18-12-9-13-19-29/h8-13,16-19,26-27,30-33,48H,14-15,20-25H2,1-7H3,(H5-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t27-,30-,31-,32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Antagonist activity at recombinant human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...				J Med Chem 59: 8913-8923 (2016) Article DOI: 10.1021/acs.jmedchem.6b00801 BindingDB Entry DOI: 10.7270/Q2H1340D
					More data for this Ligand-Target Pair