BDBM50459725 CHEMBL4204221

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C

InChI Key: InChIKey=VZDVAJCKWPNISD-WIFDXGDKSA-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 = 50459725   

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)	BDBM50459725 (CHEMBL4204221) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H77N9O8/c1-12-27(7)35(48-39(56)34-19-15-21-51(34)42(59)32(24-26(5)6)45-29(9)53)40(57)46-30(17-14-20-44)37(54)49-36(28(8)13-2)43(60)52-22-16-18-33(52)38(55)47-31(23-25(3)4)41(58)50(10)11/h25-28,30-36H,12-24,44H2,1-11H3,(H,45,53)(H,46,57)(H,47,55)(H,48,56)(H,49,54)/t27-,28-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.25E+3	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)	BDBM50459725 (CHEMBL4204221) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H77N9O8/c1-12-27(7)35(48-39(56)34-19-15-21-51(34)42(59)32(24-26(5)6)45-29(9)53)40(57)46-30(17-14-20-44)37(54)49-36(28(8)13-2)43(60)52-22-16-18-33(52)38(55)47-31(23-25(3)4)41(58)50(10)11/h25-28,30-36H,12-24,44H2,1-11H3,(H,45,53)(H,46,57)(H,47,55)(H,48,56)(H,49,54)/t27-,28-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.02E+4	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)	BDBM50459725 (CHEMBL4204221) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H77N9O8/c1-12-27(7)35(48-39(56)34-19-15-21-51(34)42(59)32(24-26(5)6)45-29(9)53)40(57)46-30(17-14-20-44)37(54)49-36(28(8)13-2)43(60)52-22-16-18-33(52)38(55)47-31(23-25(3)4)41(58)50(10)11/h25-28,30-36H,12-24,44H2,1-11H3,(H,45,53)(H,46,57)(H,47,55)(H,48,56)(H,49,54)/t27-,28-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+5	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)	BDBM50459725 (CHEMBL4204221) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H77N9O8/c1-12-27(7)35(48-39(56)34-19-15-21-51(34)42(59)32(24-26(5)6)45-29(9)53)40(57)46-30(17-14-20-44)37(54)49-36(28(8)13-2)43(60)52-22-16-18-33(52)38(55)47-31(23-25(3)4)41(58)50(10)11/h25-28,30-36H,12-24,44H2,1-11H3,(H,45,53)(H,46,57)(H,47,55)(H,48,56)(H,49,54)/t27-,28-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+4	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