BDBM50157400 CHEMBL3781600

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=WLBAULDKQUJLST-BKIIHXKZSA-O

Data: 3 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 3 hits for monomerid = 50157400   

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))	BDBM50157400 (CHEMBL3781600) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay				ACS Med Chem Lett 7: 139-44 (2016) BindingDB Entry DOI: 10.7270/Q2222WNZ
					More data for this Ligand-Target Pair
Chromobox protein homolog 6 (Homo sapiens (Human))	BDBM50157400 (CHEMBL3781600) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay				ACS Med Chem Lett 7: 139-44 (2016) BindingDB Entry DOI: 10.7270/Q2222WNZ
					More data for this Ligand-Target Pair
Chromobox protein homolog 7 (Homo sapiens (Human))	BDBM50157400 (CHEMBL3781600) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Binding affinity to human CBX7 V13A mutant expressed in Escherichia coli BL21 by surface plasmon resonance assay				ACS Med Chem Lett 7: 139-44 (2016) BindingDB Entry DOI: 10.7270/Q2222WNZ
					More data for this Ligand-Target Pair