BDBM50030894 CHEMBL3356559

SMILES: Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C

InChI Key: InChIKey=YXPVTKHEWGXKEY-UHFFFAOYSA-N

Data: 1 IC50  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 4 hits for monomerid = 50030894   

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))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal titration colorimetry				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1-like (Homo sapiens (Human))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Binding affinity to TAF1L (unknown origin) by bromodomain displacement assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50030894 (CHEMBL3356559) Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a
Dana-Farber Institute Curated by ChEMBL					Assay Description Binding affinity to TAF1 (unknown origin) by bromodomain displacement assay				J Med Chem 57: 9019-27 (2014) Article DOI: 10.1021/jm501120z BindingDB Entry DOI: 10.7270/Q2FN17T7
					More data for this Ligand-Target Pair