Compile Data Set for Download or QSAR

Found 701 hits with Last Name = 'flynn' and Initial = 'em'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503407 (CHEMBL4440829) Show SMILES CCOc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H26N4O4/c1-3-5-8-27-15-19(17-6-7-24-20(17)23(27)29)16-13-18(21(25-14-16)31-4-2)22(28)26-9-11-30-12-10-26/h3,6-7,13-15,24H,1,4-5,8-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321424 (6-[(E)-but-2-enyl]-4-[2,5-dimethoxy-4-(morpholine-...) Show SMILES COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C25H29N3O5/c1-5-6-7-28-15-20(18-12-16(2)26-23(18)25(28)30)17-13-22(32-4)19(14-21(17)31-3)24(29)27-8-10-33-11-9-27/h5-6,12-15,26H,7-11H2,1-4H3/b6-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321463 (6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...) Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321467 (6-but-3-enyl-4-[3-ethyl-7-(morpholine-4-carbonyl)b...) Show SMILES CCn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H27N5O3/c1-3-5-8-30-15-20(18-6-7-26-23(18)25(30)32)17-13-19(24(31)29-9-11-33-12-10-29)22-21(14-17)28(4-2)16-27-22/h3,6-7,13-16,26H,1,4-5,8-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503399 (CHEMBL4441257) Show SMILES Clc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H22ClN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321411 (6-[(E)-but-2-enyl]-4-[3-methoxy-4-(morpholine-4-ca...) Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12 Show InChI InChI=1S/C24H27N3O4/c1-4-5-8-27-15-20(19-13-16(2)25-22(19)24(27)29)17-6-7-18(21(14-17)30-3)23(28)26-9-11-31-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503413 (CHEMBL4566599) Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321412 (6-[(E)-but-2-enyl]-4-[3-chloro-4-(morpholine-4-car...) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C23H24ClN3O3/c1-3-4-7-27-14-19(18-12-15(2)25-21(18)23(27)29)16-5-6-17(20(24)13-16)22(28)26-8-10-30-11-9-26/h3-6,12-14,25H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321437 ((E)-6-(but-2-en-1-yl)-4-(4-(2-hydroxypropan-2-yl)-...) Show SMILES COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O Show InChI InChI=1S/C23H28N2O4/c1-7-8-9-25-13-17(16-10-14(2)24-21(16)22(25)26)15-11-20(29-6)18(23(3,4)27)12-19(15)28-5/h7-8,10-13,24,27H,9H2,1-6H3/b8-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321422 (5-[6-[(E)-but-2-enyl]-2-methyl-7-oxo-1H-pyrrolo[2,...) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(c2)C#N)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C24H24N4O3/c1-3-4-7-28-15-21(20-12-16(2)26-22(20)24(28)30)17-5-6-19(18(13-17)14-25)23(29)27-8-10-31-11-9-27/h3-6,12-13,15,26H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321415 (6-[(E)-but-2-enyl]-2-methyl-4-[3-methyl-4-(morphol...) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C24H27N3O3/c1-4-5-8-27-15-21(20-14-17(3)25-22(20)24(27)29)18-6-7-19(16(2)13-18)23(28)26-9-11-30-12-10-26/h4-7,13-15,25H,8-12H2,1-3H3/b5-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503404 (CHEMBL4455513) Show SMILES Cn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-21(17)24(29)31)16-12-18(22-20(13-16)26-15-27(22)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321462 (6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...) Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503406 (CHEMBL4463538) Show SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321458 (6-but-3-enyl-4-[3,4-difluoro-5-(morpholine-4-carbo...) Show SMILES Fc1cc(cc(C(=O)N2CCOCC2)c1F)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H21F2N3O3/c1-2-3-6-27-13-17(15-4-5-25-20(15)22(27)29)14-11-16(19(24)18(23)12-14)21(28)26-7-9-30-10-8-26/h2,4-5,11-13,25H,1,3,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM321407 (6-[(E)-but-2-enyl]-2-methyl-4-[4-(morpholine-4-car...) Show SMILES C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc(C)[nH]c2c1=O Show InChI InChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(19-14-16(2)24-21(19)23(26)28)17-5-7-18(8-6-17)22(27)25-10-12-29-13-11-25/h3-8,14-15,24H,9-13H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503408 (CHEMBL4459660) Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321460 (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) Show SMILES C=CCCn1cc(-c2cc(cc(c2)C(=O)N2CCOCC2)C#N)c2cc[nH]c2c1=O Show InChI InChI=1S/C23H22N4O3/c1-2-3-6-27-15-20(19-4-5-25-21(19)23(27)29)17-11-16(14-24)12-18(13-17)22(28)26-7-9-30-10-8-26/h2,4-5,11-13,15,25H,1,3,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321464 (6-but-3-enyl-4-[7-(morpholine-4-carbonyl)-3H-benzi...) Show SMILES C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)c3nc[nH]c3c2)c2cc[nH]c2c1=O Show InChI InChI=1S/C23H23N5O3/c1-2-3-6-28-13-18(16-4-5-24-21(16)23(28)30)15-11-17(20-19(12-15)25-14-26-20)22(29)27-7-9-31-10-8-27/h2,4-5,11-14,24H,1,3,6-10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321465 (6-but-3-enyl-4-[3-methyl-7-(morpholine-4-carbonyl)...) Show SMILES Cn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)16-12-18(21-20(13-16)27(2)15-26-21)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503412 (CHEMBL4459431) Show SMILES C=CCCn1cc(-c2cncc(c2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-2-3-6-25-14-18(17-4-5-23-19(17)21(25)27)15-11-16(13-22-12-15)20(26)24-7-9-28-10-8-24/h2,4-5,11-14,23H,1,3,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269687 (CHEMBL4073178) Show SMILES COc1cccc(c1)-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H30N6O3/c1-4-12-34-17-23(22-8-11-29-26(22)28(34)36)27(35)32(2)20-9-13-33(14-10-20)25-16-24(30-18-31-25)19-6-5-7-21(15-19)37-3/h4-8,11,15-18,20,29H,1,9-10,12-14H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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))	BDBM50503398 (CHEMBL4445482) Show SMILES CCn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C25H27N5O3/c1-3-5-8-30-15-20(18-6-7-26-22(18)25(30)32)17-13-19(24(31)29-9-11-33-12-10-29)23-21(14-17)27-16-28(23)4-2/h3,6-7,13-16,26H,1,4-5,8-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321461 (6-but-3-enyl-4-[3-fluoro-5-(morpholine-4-carbonyl)...) Show SMILES Fc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H22FN3O3/c1-2-3-6-26-14-19(18-4-5-24-20(18)22(26)28)15-11-16(13-17(23)12-15)21(27)25-7-9-29-10-8-25/h2,4-5,11-14,24H,1,3,6-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195610 (KDM inhibitor, 3) Show SMILES CCc1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,13H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	n/a
Genentech Inc					Assay Description Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (...				Nat Chem Biol 12: 531-8 (2016) Article DOI: 10.1038/nchembio.2085 BindingDB Entry DOI: 10.7270/Q2CF9NXW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503403 (CHEMBL4463398) Show SMILES C=CCCn1cc(-c2cccc(c2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H23N3O3/c1-2-3-9-25-15-19(18-7-8-23-20(18)22(25)27)16-5-4-6-17(14-16)21(26)24-10-12-28-13-11-24/h2,4-8,14-15,23H,1,3,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503411 (CHEMBL4448345) Show SMILES Nc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H24N4O3/c1-2-3-6-26-14-19(18-4-5-24-20(18)22(26)28)15-11-16(13-17(23)12-15)21(27)25-7-9-29-10-8-25/h2,4-5,11-14,24H,1,3,6-10,23H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321468 (6-but-3-enyl-4-[6-(morpholine-4-carbonyl)-1H-benzi...) Show SMILES C=CCCn1cc(-c2cc(cc3[nH]cnc23)C(=O)N2CCOCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C23H23N5O3/c1-2-3-6-28-13-18(16-4-5-24-21(16)23(28)30)17-11-15(12-19-20(17)26-14-25-19)22(29)27-7-9-31-10-8-27/h2,4-5,11-14,24H,1,3,6-10H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50615276 (CHEMBL5270178) Show SMILES C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178220 (CHEMBL3814550 | US10206931, Example 57) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(C5CC5)c4c3)c2N1 |r| Show InChI InChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503409 (CHEMBL4465624) Show SMILES Cc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H25N3O3/c1-3-4-9-26-15-20(18-7-8-24-21(18)23(26)28)17-6-5-16(2)19(14-17)22(27)25-10-12-29-13-11-25/h3,5-8,14-15,24H,1,4,9-13H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503400 (CHEMBL4483624) Show SMILES C=CCCn1cc(-c2cccc(c2)C(=O)N2CCCC2)c2cc[nH]c2c1=O Show InChI InChI=1S/C22H23N3O2/c1-2-3-11-25-15-19(18-9-10-23-20(18)22(25)27)16-7-6-8-17(14-16)21(26)24-12-4-5-13-24/h2,6-10,14-15,23H,1,3-5,11-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503406 (CHEMBL4463538) Show SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescent-tagged ligand from nanoLuc fused N-terminal TAF1 bromodomain 2 (unknown origin) expressed in 293T cells by luciferase repor...				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50178169 (CHEMBL3814896 | US10206931, Example 75) Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1 |r| Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269689 (CHEMBL4075584) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C27H27FN6O2/c1-3-12-34-16-21(19-8-11-29-25(19)27(34)36)26(35)32(2)18-9-13-33(14-10-18)24-15-23(30-17-31-24)20-6-4-5-7-22(20)28/h3-8,11,15-18,29H,1,9-10,12-14H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269688 (CHEMBL4077439) Show SMILES COc1ccccc1-c1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H30N6O3/c1-4-13-34-17-22(20-9-12-29-26(20)28(34)36)27(35)32(2)19-10-14-33(15-11-19)25-16-23(30-18-31-25)21-7-5-6-8-24(21)37-3/h4-9,12,16-19,29H,1,10-11,13-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269691 (CHEMBL4076944) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccco1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C25H26N6O3/c1-3-10-31-15-19(18-6-9-26-23(18)25(31)33)24(32)29(2)17-7-11-30(12-8-17)22-14-20(27-16-28-22)21-5-4-13-34-21/h3-6,9,13-17,26H,1,7-8,10-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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))	BDBM321448 (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269690 (CHEMBL4104121) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-c1ccccc1C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C28H30N6O2/c1-4-13-34-17-23(22-9-12-29-26(22)28(34)36)27(35)32(3)20-10-14-33(15-11-20)25-16-24(30-18-31-25)21-8-6-5-7-19(21)2/h4-9,12,16-18,20,29H,1,10-11,13-15H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	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))	BDBM321448 (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay				J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 BindingDB Entry DOI: 10.7270/Q2VQ3641
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM321448 (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) Show SMILES CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50503402 (CHEMBL4466746) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H25N3O2/c1-4-7-13-25-15-19(18-11-12-23-20(18)22(25)27)16-9-8-10-17(14-16)21(26)24(5-2)6-3/h4,8-12,14-15,23H,1,5-7,13H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay				J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 BindingDB Entry DOI: 10.7270/Q2NV9NH4
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50615275 (CHEMBL5282240) Show SMILES COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of biotinylated ligand from recombinant His-tagged EP300 (unknown origin) incubated for 10 mins by TR-FRET assay				ACS Med Chem Lett 7: 531-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00075 BindingDB Entry DOI: 10.7270/Q20G3N3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269694 (CHEMBL4088221) Show SMILES CN(C1CCN(CC1)c1cc(nc(C)n1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C25H30N6O2/c1-4-11-31-15-20(19-7-10-26-23(19)25(31)33)24(32)29(3)18-8-12-30(13-9-18)22-14-21(17-5-6-17)27-16(2)28-22/h4,7,10,14-15,17-18,26H,1,5-6,8-9,11-13H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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

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