BDBM50096311 CHEMBL3586717

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C

InChI Key: InChIKey=ZFEZSJMAONMYBM-BUHFOSPRSA-N

Data: 4 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 4 hits for monomerid = 50096311   

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))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.16E+3	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: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of bi...				J Med Chem 61: 8321-8336 (2018) Article DOI: 10.1021/acs.jmedchem.8b00862 BindingDB Entry DOI: 10.7270/Q2125WBR
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50096311 (CHEMBL3586717) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1nccc3cc(C)c(=O)[nH]c13)N2C |r| Show InChI InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H/b14-13+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 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: 5649-73 (2015) Article DOI: 10.1021/acs.jmedchem.5b00772 BindingDB Entry DOI: 10.7270/Q2PR7XQN
					More data for this Ligand-Target Pair