BDBM50459727 CHEMBL4206834

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1

InChI Key: InChIKey=TYQWCNJKLRSFCK-PKXSCIEESA-N

Data: 2 KI  2 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 4 hits for monomerid = 50459727   

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
Protein AF-9 (Homo sapiens)	BDBM50459727 (CHEMBL4206834) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r| Show InChI InChI=1S/C48H66N8O5/c1-32(2)42(53-45(58)41-25-15-27-56(41)47(60)36-22-10-5-11-23-36)46(59)52-38(29-49)44(57)51-37(28-33-16-12-13-17-33)48(61)55-26-14-24-40(55)43-50-39(35-20-8-4-9-21-35)31-54(43)30-34-18-6-3-7-19-34/h4-5,8-11,20-23,31-34,37-38,40-42H,3,6-7,12-19,24-30,49H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)/t37-,38-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair
Protein ENL (Homo sapiens)	BDBM50459727 (CHEMBL4206834) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r| Show InChI InChI=1S/C48H66N8O5/c1-32(2)42(53-45(58)41-25-15-27-56(41)47(60)36-22-10-5-11-23-36)46(59)52-38(29-49)44(57)51-37(28-33-16-12-13-17-33)48(61)55-26-14-24-40(55)43-50-39(35-20-8-4-9-21-35)31-54(43)30-34-18-6-3-7-19-34/h4-5,8-11,20-23,31-34,37-38,40-42H,3,6-7,12-19,24-30,49H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)/t37-,38-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged ENL (unknown origin) (489 to 559 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair
Protein AF-9 (Homo sapiens)	BDBM50459727 (CHEMBL4206834) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r| Show InChI InChI=1S/C48H66N8O5/c1-32(2)42(53-45(58)41-25-15-27-56(41)47(60)36-22-10-5-11-23-36)46(59)52-38(29-49)44(57)51-37(28-33-16-12-13-17-33)48(61)55-26-14-24-40(55)43-50-39(35-20-8-4-9-21-35)31-54(43)30-34-18-6-3-7-19-34/h4-5,8-11,20-23,31-34,37-38,40-42H,3,6-7,12-19,24-30,49H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)/t37-,38-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair
Protein ENL (Homo sapiens)	BDBM50459727 (CHEMBL4206834) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1CC1CCCCC1)-c1ccccc1 |r| Show InChI InChI=1S/C48H66N8O5/c1-32(2)42(53-45(58)41-25-15-27-56(41)47(60)36-22-10-5-11-23-36)46(59)52-38(29-49)44(57)51-37(28-33-16-12-13-17-33)48(61)55-26-14-24-40(55)43-50-39(35-20-8-4-9-21-35)31-54(43)30-34-18-6-3-7-19-34/h4-5,8-11,20-23,31-34,37-38,40-42H,3,6-7,12-19,24-30,49H2,1-2H3,(H,51,57)(H,52,59)(H,53,58)/t37-,38-,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged ENL (unknown origin) (489 to 559 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair