BDBM50269847 CHEMBL4097025

SMILES: CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F

InChI Key: InChIKey=CQCWHSDMJBAGDC-UHFFFAOYSA-N

Data: 21 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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 22 hits for monomerid = 50269847   

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
CREB-binding protein (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.20	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 Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRE...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged human GCN5L2 measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged TAF1 bromodomain-2 (unknown origin) measured after 10 mins by T...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged PCAF measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Cat eye syndrome critical region protein 2 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CECR2 measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60E+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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRPF1 measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD9 measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 8 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by T...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD4 bromodomain-2 measured after 10 mins by TR-FRET assa...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BPTF (unknown origin) measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20	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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.940	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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 CYP2C9 (unknown origin)				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 CYP3A4 (unknown origin)				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Bromodomain adjacent to zinc finger domain protein 2B (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.80E+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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BAZ2B measured after 10 mins by TR-FRET assay				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6.60	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 CBP in human MV-4-11 cells assessed as decrease in MYC expression incubated for 4 hrs measured by luminescence method				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 CYP2C19 (unknown origin)				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10E+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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD4 bromodomain-1 measured after 10 mins by TR-FRET assa...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 CYP1A2 (unknown origin)				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	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 CBP in human PBMC derived naive CD4-positive T cells assessed as decrease in FOXP3 mRNA level in Treg cells measured after 4 days by qu...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB 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 Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged TAF1 bromodomain-1 measured after 10 mins by TR-FRET assa...				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50269847 (CHEMBL4097025) Show SMILES CNC(=O)N1CCc2c(C1)c(nn2C1CCOCC1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+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 CYP2D6 (unknown origin)				J Med Chem 60: 9162-9183 (2017) Article DOI: 10.1021/acs.jmedchem.7b00796 BindingDB Entry DOI: 10.7270/Q23F4S4V
					More data for this Ligand-Target Pair