BDBM50458956 CHEMBL4202678

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1

InChI Key: InChIKey=CFTIJALKSHXVNU-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 50458956   

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))	BDBM50458956 (CHEMBL4202678) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50458956 (CHEMBL4202678) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50458956 (CHEMBL4202678) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts-Boston Curated by ChEMBL					Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay				J Med Chem 61: 7785-7795 (2018) Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ
					More data for this Ligand-Target Pair