BDBM50194257 CHEMBL3925993

SMILES: CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC

InChI Key: InChIKey=VCAQDGBJOWAITH-KMACTHOASA-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 = 50194257   

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
Chromodomain Y-like protein 2 (Homo sapiens (Human))	BDBM50194257 (CHEMBL3925993) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C40H60N6O8/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)54-7)42-39(52)32(23-26(3)4)43-35(48)28(6)41-38(51)33(24-29-15-11-10-12-16-29)44-36(49)30-20-18-27(5)19-21-30/h10-12,15-16,18-21,26,28,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t28-,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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
Chromobox protein homolog 8 (Homo sapiens (Human))	BDBM50194257 (CHEMBL3925993) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C40H60N6O8/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)54-7)42-39(52)32(23-26(3)4)43-35(48)28(6)41-38(51)33(24-29-15-11-10-12-16-29)44-36(49)30-20-18-27(5)19-21-30/h10-12,15-16,18-21,26,28,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t28-,31-,32-,33-,34-/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	4.80E+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 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 7 (Homo sapiens (Human))	BDBM50194257 (CHEMBL3925993) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C40H60N6O8/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)54-7)42-39(52)32(23-26(3)4)43-35(48)28(6)41-38(51)33(24-29-15-11-10-12-16-29)44-36(49)30-20-18-27(5)19-21-30/h10-12,15-16,18-21,26,28,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t28-,31-,32-,33-,34-/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	220	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
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50194257 (CHEMBL3925993) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C40H60N6O8/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)54-7)42-39(52)32(23-26(3)4)43-35(48)28(6)41-38(51)33(24-29-15-11-10-12-16-29)44-36(49)30-20-18-27(5)19-21-30/h10-12,15-16,18-21,26,28,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t28-,31-,32-,33-,34-/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	770	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
Chromobox protein homolog 5 (Homo sapiens (Human))	BDBM50194257 (CHEMBL3925993) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C40H60N6O8/c1-8-46(9-2)22-14-13-17-31(37(50)45-34(25-47)40(53)54-7)42-39(52)32(23-26(3)4)43-35(48)28(6)41-38(51)33(24-29-15-11-10-12-16-29)44-36(49)30-20-18-27(5)19-21-30/h10-12,15-16,18-21,26,28,31-34,47H,8-9,13-14,17,22-25H2,1-7H3,(H,41,51)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t28-,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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