BDBM50459747 CHEMBL4216933

SMILES: CCn1cc(nc1[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)-c1ccccc1

InChI Key: InChIKey=WPGWVGAREBBLSP-ABSZIYDWSA-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 = 50459747   

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)	BDBM50459747 (CHEMBL4216933) Show SMILES CCn1cc(nc1[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C44H67N9O6/c1-7-51-26-35(31-17-9-8-10-18-31)47-39(51)36-19-13-21-52(36)44(59)33(24-30-15-11-12-16-30)48-40(55)34(25-45)49-42(57)38(28(4)5)50-41(56)37-20-14-22-53(37)43(58)32(23-27(2)3)46-29(6)54/h8-10,17-18,26-28,30,32-34,36-38H,7,11-16,19-25,45H2,1-6H3,(H,46,54)(H,48,55)(H,49,57)(H,50,56)/t32-,33-,34-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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)	BDBM50459747 (CHEMBL4216933) Show SMILES CCn1cc(nc1[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C44H67N9O6/c1-7-51-26-35(31-17-9-8-10-18-31)47-39(51)36-19-13-21-52(36)44(59)33(24-30-15-11-12-16-30)48-40(55)34(25-45)49-42(57)38(28(4)5)50-41(56)37-20-14-22-53(37)43(58)32(23-27(2)3)46-29(6)54/h8-10,17-18,26-28,30,32-34,36-38H,7,11-16,19-25,45H2,1-6H3,(H,46,54)(H,48,55)(H,49,57)(H,50,56)/t32-,33-,34-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	369	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)	BDBM50459747 (CHEMBL4216933) Show SMILES CCn1cc(nc1[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C44H67N9O6/c1-7-51-26-35(31-17-9-8-10-18-31)47-39(51)36-19-13-21-52(36)44(59)33(24-30-15-11-12-16-30)48-40(55)34(25-45)49-42(57)38(28(4)5)50-41(56)37-20-14-22-53(37)43(58)32(23-27(2)3)46-29(6)54/h8-10,17-18,26-28,30,32-34,36-38H,7,11-16,19-25,45H2,1-6H3,(H,46,54)(H,48,55)(H,49,57)(H,50,56)/t32-,33-,34-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	341	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)	BDBM50459747 (CHEMBL4216933) Show SMILES CCn1cc(nc1[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)NC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)-c1ccccc1 |r| Show InChI InChI=1S/C44H67N9O6/c1-7-51-26-35(31-17-9-8-10-18-31)47-39(51)36-19-13-21-52(36)44(59)33(24-30-15-11-12-16-30)48-40(55)34(25-45)49-42(57)38(28(4)5)50-41(56)37-20-14-22-53(37)43(58)32(23-27(2)3)46-29(6)54/h8-10,17-18,26-28,30,32-34,36-38H,7,11-16,19-25,45H2,1-6H3,(H,46,54)(H,48,55)(H,49,57)(H,50,56)/t32-,33-,34-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+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