BDBM50269699 CHEMBL4076381

SMILES: COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=JGXXEVMAVQEWKP-UHFFFAOYSA-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 = 50269699   

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 9 (Homo sapiens (Human))	BDBM50269699 (CHEMBL4076381) Show SMILES COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H26N6O3/c1-4-9-28-13-17(16-5-8-23-20(16)22(28)30)21(29)26(2)15-6-10-27(11-7-15)18-12-19(31-3)25-14-24-18/h4-5,8,12-15,23H,1,6-7,9-11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD9 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET as...				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50269699 (CHEMBL4076381) Show SMILES COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H26N6O3/c1-4-9-28-13-17(16-5-8-23-20(16)22(28)30)21(29)26(2)15-6-10-27(11-7-15)18-12-19(31-3)25-14-24-18/h4-5,8,12-15,23H,1,6-7,9-11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269699 (CHEMBL4076381) Show SMILES COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H26N6O3/c1-4-9-28-13-17(16-5-8-23-20(16)22(28)30)21(29)26(2)15-6-10-27(11-7-15)18-12-19(31-3)25-14-24-18/h4-5,8,12-15,23H,1,6-7,9-11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged TAF1 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins...				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50269699 (CHEMBL4076381) Show SMILES COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H26N6O3/c1-4-9-28-13-17(16-5-8-23-20(16)22(28)30)21(29)26(2)15-6-10-27(11-7-15)18-12-19(31-3)25-14-24-18/h4-5,8,12-15,23H,1,6-7,9-11H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 1 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay				ACS Med Chem Lett 8: 737-741 (2017) Article DOI: 10.1021/acsmedchemlett.7b00132 BindingDB Entry DOI: 10.7270/Q2862JXN
					More data for this Ligand-Target Pair