BDBM50468549 CHEMBL4291772

SMILES: CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(C)c1cnn(C)c1C

InChI Key: InChIKey=ZHMKNBFQCHDNKP-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50468549   

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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50468549 (CHEMBL4291772) Show SMILES CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(C)c1cnn(C)c1C Show InChI InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11H,6H2,1-5H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to human partial length BRD4 BD1 (N44 to E168 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				Eur J Med Chem 155: 337-352 (2018) Article DOI: 10.1016/j.ejmech.2018.05.037 BindingDB Entry DOI: 10.7270/Q2FJ2KG7
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50468549 (CHEMBL4291772) Show SMILES CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(C)c1cnn(C)c1C Show InChI InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11H,6H2,1-5H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				Eur J Med Chem 155: 337-352 (2018) Article DOI: 10.1016/j.ejmech.2018.05.037 BindingDB Entry DOI: 10.7270/Q2FJ2KG7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription intermediary factor 1-alpha (Homo sapiens (Human))	BDBM50468549 (CHEMBL4291772) Show SMILES CCn1c2ccc(cc2nc(C)c1=O)C(=O)NC(C)c1cnn(C)c1C Show InChI InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11H,6H2,1-5H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Binding affinity to human partial length TRIM24-phd-bromo (P790 to P977 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay				Eur J Med Chem 155: 337-352 (2018) Article DOI: 10.1016/j.ejmech.2018.05.037 BindingDB Entry DOI: 10.7270/Q2FJ2KG7
					More data for this Ligand-Target Pair