BDBM50459726 CHEMBL4211962

SMILES: CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C)-c1ccccc1

InChI Key: InChIKey=UDIPRSWKKVORBW-MGGWPMFNSA-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 = 50459726   

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)	BDBM50459726 (CHEMBL4211962) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C)-c1ccccc1 |r| Show InChI InChI=1S/C43H65N9O6/c1-26(2)22-31(45-28(5)53)42(57)52-21-13-19-36(52)40(55)49-37(27(3)4)41(56)48-33(24-44)39(54)47-32(23-29-14-10-11-15-29)43(58)51-20-12-18-35(51)38-46-34(25-50(38)6)30-16-8-7-9-17-30/h7-9,16-17,25-27,29,31-33,35-37H,10-15,18-24,44H2,1-6H3,(H,45,53)(H,47,54)(H,48,56)(H,49,55)/t31-,32-,33-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	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)	BDBM50459726 (CHEMBL4211962) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C)-c1ccccc1 |r| Show InChI InChI=1S/C43H65N9O6/c1-26(2)22-31(45-28(5)53)42(57)52-21-13-19-36(52)40(55)49-37(27(3)4)41(56)48-33(24-44)39(54)47-32(23-29-14-10-11-15-29)43(58)51-20-12-18-35(51)38-46-34(25-50(38)6)30-16-8-7-9-17-30/h7-9,16-17,25-27,29,31-33,35-37H,10-15,18-24,44H2,1-6H3,(H,45,53)(H,47,54)(H,48,56)(H,49,55)/t31-,32-,33-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	417	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 ENL (Homo sapiens)	BDBM50459726 (CHEMBL4211962) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C)-c1ccccc1 |r| Show InChI InChI=1S/C43H65N9O6/c1-26(2)22-31(45-28(5)53)42(57)52-21-13-19-36(52)40(55)49-37(27(3)4)41(56)48-33(24-44)39(54)47-32(23-29-14-10-11-15-29)43(58)51-20-12-18-35(51)38-46-34(25-50(38)6)30-16-8-7-9-17-30/h7-9,16-17,25-27,29,31-33,35-37H,10-15,18-24,44H2,1-6H3,(H,45,53)(H,47,54)(H,48,56)(H,49,55)/t31-,32-,33-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	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)	BDBM50459726 (CHEMBL4211962) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(cn1C)-c1ccccc1 |r| Show InChI InChI=1S/C43H65N9O6/c1-26(2)22-31(45-28(5)53)42(57)52-21-13-19-36(52)40(55)49-37(27(3)4)41(56)48-33(24-44)39(54)47-32(23-29-14-10-11-15-29)43(58)51-20-12-18-35(51)38-46-34(25-50(38)6)30-16-8-7-9-17-30/h7-9,16-17,25-27,29,31-33,35-37H,10-15,18-24,44H2,1-6H3,(H,45,53)(H,47,54)(H,48,56)(H,49,55)/t31-,32-,33-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	372	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