BDBM50365462 CHEMBL1738777

SMILES: Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S

InChI Key: InChIKey=KDPSGIFCBZTBEZ-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 50365462   

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 2 (Homo sapiens (Human))	BDBM50365462 (CHEMBL1738777) Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
Japan Science and Technology Agency Curated by ChEMBL					Assay Description Binding affinity to BRD2-BD1 by SPR spectroscopy				Bioorg Med Chem 20: 1887-92 (2012) Article DOI: 10.1016/j.bmc.2012.01.018 BindingDB Entry DOI: 10.7270/Q2TX3FTN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365462 (CHEMBL1738777) Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to BRD2 isoform 1 by SPR				J Med Chem 55: 9393-413 (2012) Article DOI: 10.1021/jm300915b BindingDB Entry DOI: 10.7270/Q25B03NC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50365462 (CHEMBL1738777) Show SMILES Cn1c2ccccc2n(CCSc2nc3ccccc3[nH]2)c1=S Show InChI InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of first bromodomain of BRD2 (unknown origin)				J Med Chem 56: 8073-88 (2013) Article DOI: 10.1021/jm4011302 BindingDB Entry DOI: 10.7270/Q20C4X6S
					More data for this Ligand-Target Pair