BDBM50440727 CHEMBL2431090

SMILES: Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1

InChI Key: InChIKey=DRSQZZRFHBWKKZ-AWEZNQCLSA-N

Data: 2 IC50

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 2 hits for monomerid = 50440727   

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))	BDBM50440727 (CHEMBL2431090) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1 |r,c:10| Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA				ACS Med Chem Lett 4: 835-40 (2013) Article DOI: 10.1021/ml4001485 BindingDB Entry DOI: 10.7270/Q2DV1MB8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50440727 (CHEMBL2431090) Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1 |r,c:10| Show InChI InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs				ACS Med Chem Lett 4: 835-40 (2013) Article DOI: 10.1021/ml4001485 BindingDB Entry DOI: 10.7270/Q2DV1MB8
					More data for this Ligand-Target Pair				3D Structure (crystal)