BDBM50194251 CHEMBL3955176

SMILES: COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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=YPECSSKXTKAOSG-WULLJDQYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50194251   

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))	BDBM50194251 (CHEMBL3955176) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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 8 (Homo sapiens (Human))	BDBM50194251 (CHEMBL3955176) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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
Chromobox protein homolog 5 (Homo sapiens (Human))	BDBM50194251 (CHEMBL3955176) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Chromodomain Y-like protein 2 (Homo sapiens (Human))	BDBM50194251 (CHEMBL3955176) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50194251 (CHEMBL3955176) Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C1CCC1)C1CCC1)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/C45H65N7O9/c1-29(2)25-36(44(59)49-35(42(57)51-38(28-53)45(60)61-4)23-11-12-24-52(33-19-13-20-33)34-21-14-22-34)50-40(55)30(3)47-43(58)37(26-31-15-7-5-8-16-31)48-39(54)27-46-41(56)32-17-9-6-10-18-32/h5-10,15-18,29-30,33-38,53H,11-14,19-28H2,1-4H3,(H,46,56)(H,47,58)(H,48,54)(H,49,59)(H,50,55)(H,51,57)/t30-,35-,36-,37-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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