BDBM50009555 CHEMBL3234443

SMILES: COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO

InChI Key: InChIKey=RVSBUVWESBGOMR-OPPLUPLLSA-O

Data: 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 4 hits for monomerid = 50009555   

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 (CBX7) (Homo sapiens (Human))	BDBM50009555 (CHEMBL3234443) Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r| Show InChI InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	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 1 (Homo sapiens (Human))	BDBM50009555 (CHEMBL3234443) Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r| Show InChI InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+5	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
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50009555 (CHEMBL3234443) Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r| Show InChI InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	290	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 8 (Homo sapiens (Human))	BDBM50009555 (CHEMBL3234443) Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r| Show InChI InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.89E+3	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