BDBM50519512 CHEMBL4449240

SMILES: CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=SQWGTAUPVFPVAQ-NDOOMZCZSA-N

Data: 2 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 2 hits for monomerid = 50519512   

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))	BDBM50519512 (CHEMBL4449240) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C37H62N6O8/c1-11-43(12-2)20-14-13-15-28(34(48)42-30(22-44)36(50)51-10)40-35(49)29(21-23(3)4)41-32(46)25(6)38-31(45)24(5)39-33(47)26-16-18-27(19-17-26)37(7,8)9/h16-19,23-25,28-30,44H,11-15,20-22H2,1-10H3,(H,38,45)(H,39,47)(H,40,49)(H,41,46)(H,42,48)/t24-,25-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of CBX7 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
					More data for this Ligand-Target Pair
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50519512 (CHEMBL4449240) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C37H62N6O8/c1-11-43(12-2)20-14-13-15-28(34(48)42-30(22-44)36(50)51-10)40-35(49)29(21-23(3)4)41-32(46)25(6)38-31(45)24(5)39-33(47)26-16-18-27(19-17-26)37(7,8)9/h16-19,23-25,28-30,44H,11-15,20-22H2,1-10H3,(H,38,45)(H,39,47)(H,40,49)(H,41,46)(H,42,48)/t24-,25-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of CBX4 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522
					More data for this Ligand-Target Pair