BDBM50538816 CHEMBL4642464

SMILES: C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O

InChI Key: InChIKey=YWACDKZPYSQVFM-QJSKOQLASA-O

Data: 3 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 3 hits for monomerid = 50538816   

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 6 (Homo sapiens (Human))	BDBM50538816 (CHEMBL4642464) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Chromobox protein homolog 8 (Homo sapiens (Human))	BDBM50538816 (CHEMBL4642464) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50538816 (CHEMBL4642464) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair