BDBM50098329 CHEMBL3590393

SMILES: Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@H]3CC[C@H](O)CC3)c2[nH]c1=O

InChI Key: InChIKey=WNBNZEINROGKSJ-UHFFFAOYSA-N

Data: 2 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 = 50098329   

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
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098329 (CHEMBL3590393) Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@H]3CC[C@H](O)CC3)c2[nH]c1=O |r,wU:14.15,17.17,wD:9.8,20.21,(-3.75,1.39,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.07,;5.34,-3.84,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;1.34,-6.16,;.01,-5.39,;-1.33,-6.16,;-1.32,-7.7,;-2.65,-8.48,;-3.99,-7.71,;-5.05,-8.33,;-4,-6.17,;-2.66,-5.4,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C12H10N2S/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,7-8H,6H2,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50098329 (CHEMBL3590393) Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@H]3CC[C@H](O)CC3)c2[nH]c1=O |r,wU:14.15,17.17,wD:9.8,20.21,(-3.75,1.39,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.07,;5.34,-3.84,;5.34,-5.38,;4.01,-6.15,;2.68,-5.39,;1.34,-6.16,;.01,-5.39,;-1.33,-6.16,;-1.32,-7.7,;-2.65,-8.48,;-3.99,-7.71,;-5.05,-8.33,;-4,-6.17,;-2.66,-5.4,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C12H10N2S/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,7-8H,6H2,(H,13,14)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis				J Med Chem 58: 6151-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00773 BindingDB Entry DOI: 10.7270/Q2FN17Z1
					More data for this Ligand-Target Pair