BDBM50540510 CHEMBL4645137

SMILES: CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1C

InChI Key: InChIKey=YBLUEXMGRUAPAL-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50540510   

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 9 (Homo sapiens (Human))	BDBM50540510 (CHEMBL4645137) Show SMILES CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1C Show InChI InChI=1S/C16H20N4O/c1-11-15(9-17-20(3)16(11)21)18-14-6-4-5-12-10-19(2)8-7-13(12)14/h4-6,9,18H,7-8,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay				J Med Chem 63: 5816-5840 (2020)
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50540510 (CHEMBL4645137) Show SMILES CN1CCc2c(C1)cccc2Nc1cnn(C)c(=O)c1C Show InChI InChI=1S/C16H20N4O/c1-11-15(9-17-20(3)16(11)21)18-14-6-4-5-12-10-19(2)8-7-13(12)14/h4-6,9,18H,7-8,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Binding affinity to BRD4 (1) (unknown origin) N-terminal bromodomain by TR-FRET assay				J Med Chem 63: 5816-5840 (2020)
					More data for this Ligand-Target Pair