BDBM50458952 CHEMBL4203571

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=ITDUQSWFIDASGI-LJQANCHMSA-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 = 50458952   

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))	BDBM50458952 (CHEMBL4203571) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H34N6O3/c1-19-28(37)34(2)24-18-31-29(33-26(24)35(19)22-11-7-8-12-22)32-23-14-13-21(17-25(23)38-3)27(36)30-16-15-20-9-5-4-6-10-20/h4-6,9-10,13-14,17-19,22H,7-8,11-12,15-16H2,1-3H3,(H,30,36)(H,31,32,33)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	183	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))	BDBM50458952 (CHEMBL4203571) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H34N6O3/c1-19-28(37)34(2)24-18-31-29(33-26(24)35(19)22-11-7-8-12-22)32-23-14-13-21(17-25(23)38-3)27(36)30-16-15-20-9-5-4-6-10-20/h4-6,9-10,13-14,17-19,22H,7-8,11-12,15-16H2,1-3H3,(H,30,36)(H,31,32,33)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	558	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))	BDBM50458952 (CHEMBL4203571) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H34N6O3/c1-19-28(37)34(2)24-18-31-29(33-26(24)35(19)22-11-7-8-12-22)32-23-14-13-21(17-25(23)38-3)27(36)30-16-15-20-9-5-4-6-10-20/h4-6,9-10,13-14,17-19,22H,7-8,11-12,15-16H2,1-3H3,(H,30,36)(H,31,32,33)/t19-/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	27	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