BDBM50459732 CHEMBL4206070

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](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C

InChI Key: InChIKey=NMCVPEJUMMHCIJ-YADAZJFLSA-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 = 50459732   

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)	BDBM50459732 (CHEMBL4206070) 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](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H74N8O9/c1-10-27(6)35(47-39(56)34-19-14-20-50(34)42(59)31(23-26(4)5)44-28(7)53)40(57)46-32(24-52)37(54)48-36(29-16-12-11-13-17-29)43(60)51-21-15-18-33(51)38(55)45-30(22-25(2)3)41(58)49(8)9/h25-27,29-36,52H,10-24H2,1-9H3,(H,44,53)(H,45,55)(H,46,57)(H,47,56)(H,48,54)/t27-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	620	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)	BDBM50459732 (CHEMBL4206070) 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](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H74N8O9/c1-10-27(6)35(47-39(56)34-19-14-20-50(34)42(59)31(23-26(4)5)44-28(7)53)40(57)46-32(24-52)37(54)48-36(29-16-12-11-13-17-29)43(60)51-21-15-18-33(51)38(55)45-30(22-25(2)3)41(58)49(8)9/h25-27,29-36,52H,10-24H2,1-9H3,(H,44,53)(H,45,55)(H,46,57)(H,47,56)(H,48,54)/t27-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.44E+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 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)	BDBM50459732 (CHEMBL4206070) 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](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H74N8O9/c1-10-27(6)35(47-39(56)34-19-14-20-50(34)42(59)31(23-26(4)5)44-28(7)53)40(57)46-32(24-52)37(54)48-36(29-16-12-11-13-17-29)43(60)51-21-15-18-33(51)38(55)45-30(22-25(2)3)41(58)49(8)9/h25-27,29-36,52H,10-24H2,1-9H3,(H,44,53)(H,45,55)(H,46,57)(H,47,56)(H,48,54)/t27-,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	3.49E+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 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)	BDBM50459732 (CHEMBL4206070) 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](CO)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C43H74N8O9/c1-10-27(6)35(47-39(56)34-19-14-20-50(34)42(59)31(23-26(4)5)44-28(7)53)40(57)46-32(24-52)37(54)48-36(29-16-12-11-13-17-29)43(60)51-21-15-18-33(51)38(55)45-30(22-25(2)3)41(58)49(8)9/h25-27,29-36,52H,10-24H2,1-9H3,(H,44,53)(H,45,55)(H,46,57)(H,47,56)(H,48,54)/t27-,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	1.05E+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 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