Compile Data Set for Download or QSAR

Found 127 hits with Last Name = 'bommi-reddy' and Initial = 'a'   

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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542060 (CHEMBL4641354 | US11274090, Example 33 Isomer 2) Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542055 (CHEMBL4636118 | US11274090, Example 22 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r| Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542046 (CHEMBL4633516 | US11414384, Example 84 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C29H25N5O/c1-34-19-24(17-33-34)23-11-12-25-26(18-32-27(25)15-23)29(35)28(22-5-3-2-4-6-22)31-14-13-20-7-9-21(16-30)10-8-20/h2-12,15,17-19,28,31-32H,13-14H2,1H3/t28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50542060 (CHEMBL4641354 | US11274090, Example 33 Isomer 2) Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50542046 (CHEMBL4633516 | US11414384, Example 84 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C29H25N5O/c1-34-19-24(17-33-34)23-11-12-25-26(18-32-27(25)15-23)29(35)28(22-5-3-2-4-6-22)31-14-13-20-7-9-21(16-30)10-8-20/h2-12,15,17-19,28,31-32H,13-14H2,1H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50542055 (CHEMBL4636118 | US11274090, Example 22 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r| Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542060 (CHEMBL4641354 | US11274090, Example 33 Isomer 2) Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542051 (CHEMBL4648384 | US11414384, Example 79 Isomer 1) Show SMILES Cn1cc(cn1)-c1ccc2c(cnn2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C28H24N6O/c1-33-18-24(16-31-33)23-11-12-26-25(17-32-34(26)19-23)28(35)27(22-5-3-2-4-6-22)30-14-13-20-7-9-21(15-29)10-8-20/h2-12,16-19,27,30H,13-14H2,1H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia 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
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542055 (CHEMBL4636118 | US11274090, Example 22 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r| Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542052 (CHEMBL4643833 | US11274090, Example 152 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc2N(CCc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C29H27N5O/c1-33-20-26(19-32-33)24-11-12-27-25(17-24)14-16-34(27)29(35)28(23-5-3-2-4-6-23)31-15-13-21-7-9-22(18-30)10-8-21/h2-12,17,19-20,28,31H,13-16H2,1H3/t28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542047 (CHEMBL4640553 | US11414384, Example 94 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2n1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C28H24N6O/c1-34-18-22(16-32-34)25-12-11-23-24(17-31-28(23)33-25)27(35)26(21-5-3-2-4-6-21)30-14-13-19-7-9-20(15-29)10-8-19/h2-12,16-18,26,30H,13-14H2,1H3,(H,31,33)/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542046 (CHEMBL4633516 | US11414384, Example 84 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C29H25N5O/c1-34-19-24(17-33-34)23-11-12-25-26(18-32-27(25)15-23)29(35)28(22-5-3-2-4-6-22)31-14-13-20-7-9-21(16-30)10-8-20/h2-12,15,17-19,28,31-32H,13-14H2,1H3/t28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					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
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
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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269697 (CHEMBL4062038) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C(C)(C)C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C25H32N6O2/c1-6-11-31-15-19(18-7-10-26-22(18)24(31)33)23(32)29(5)17-8-12-30(13-9-17)21-14-20(25(2,3)4)27-16-28-21/h6-7,10,14-17,26H,1,8-9,11-13H2,2-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	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))	BDBM50269693 (CHEMBL4062597) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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))	BDBM50269696 (CHEMBL4081975) Show SMILES COc1cc(nc(C)n1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H28N6O3/c1-5-10-29-14-18(17-6-9-24-21(17)23(29)31)22(30)27(3)16-7-11-28(12-8-16)19-13-20(32-4)26-15(2)25-19/h5-6,9,13-14,16,24H,1,7-8,10-12H2,2-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	71	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))	BDBM50269698 (CHEMBL4093696) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H28N6O2/c1-3-10-30-14-19(18-6-9-25-22(18)24(30)32)23(31)28(2)17-7-11-29(12-8-17)21-13-20(16-4-5-16)26-15-27-21/h3,6,9,13-17,25H,1,4-5,7-8,10-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	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))	BDBM50269695 (CHEMBL4076384) Show SMILES CN(C1CCN(CC1)c1cc(C)nc(C)n1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C23H28N6O2/c1-5-10-29-14-19(18-6-9-24-21(18)23(29)31)22(30)27(4)17-7-11-28(12-8-17)20-13-15(2)25-16(3)26-20/h5-6,9,13-14,17,24H,1,7-8,10-12H2,2-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542049 (CHEMBL4639768 | US11414384, Example 100 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccn2c(cnc2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C28H24N6O/c1-33-19-24(17-32-33)23-12-14-34-25(18-31-26(34)15-23)28(35)27(22-5-3-2-4-6-22)30-13-11-20-7-9-21(16-29)10-8-20/h2-10,12,14-15,17-19,27,30H,11,13H2,1H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542054 (CHEMBL4636245 | US11274090, Example 1 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H25N5O/c1-32-19-24(18-30-32)22-11-13-25(14-12-22)31-27(33)26(23-5-3-2-4-6-23)29-16-15-20-7-9-21(17-28)10-8-20/h2-14,18-19,26,29H,15-16H2,1H3,(H,31,33)/t26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269705 (CHEMBL4102588) Show SMILES CN1CCC(CC1)NC(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C15H20N4O2/c1-18-7-4-10(5-8-18)17-14(20)12-9-19(2)15(21)13-11(12)3-6-16-13/h3,6,9-10,16H,4-5,7-8H2,1-2H3,(H,17,20)	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 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
Chromatin remodeling regulator CECR2 (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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269685 (CHEMBL4077529) Show SMILES C[C@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1 |r| Show InChI InChI=1S/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	190	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				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269700 (CHEMBL4068293) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C(F)(F)F)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C22H23F3N6O2/c1-3-8-31-12-16(15-4-7-26-19(15)21(31)33)20(32)29(2)14-5-9-30(10-6-14)18-11-17(22(23,24)25)27-13-28-18/h3-4,7,11-14,26H,1,5-6,8-10H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50269701 (CHEMBL4078864) Show SMILES C[C@@H](N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]c(C)cc12)c1ccccc1 |r| Show InChI InChI=1S/C26H32N4O2/c1-5-13-30-17-23(22-16-18(2)27-24(22)26(30)32)25(31)28(4)21-11-14-29(15-12-21)19(3)20-9-7-6-8-10-20/h5-10,16-17,19,21,27H,1,11-15H2,2-4H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50269686 (CHEMBL4077036) Show SMILES CN(C1CCN(CC1)c1ccncn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H24N6O2/c1-3-10-27-13-17(16-4-9-23-19(16)21(27)29)20(28)25(2)15-6-11-26(12-7-15)18-5-8-22-14-24-18/h3-5,8-9,13-15,23H,1,6-7,10-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	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))	BDBM50269704 (CHEMBL4061800) Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12)c1ccccc1 Show InChI InChI=1S/C23H28N4O2/c1-16(17-7-5-4-6-8-17)27-13-10-18(11-14-27)26(3)22(28)20-15-25(2)23(29)21-19(20)9-12-24-21/h4-9,12,15-16,18,24H,10-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542057 (CHEMBL4639561 | US11274090, Example 56 Isomer 2) Show SMILES Cn1cc(cn1)-c1cnc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)cn1 |r| Show InChI InChI=1S/C25H23N7O/c1-32-17-21(14-30-32)22-15-29-23(16-28-22)31-25(33)24(20-5-3-2-4-6-20)27-12-11-18-7-9-19(13-26)10-8-18/h2-10,14-17,24,27H,11-12H2,1H3,(H,29,31,33)/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269703 (CHEMBL4089866) Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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))	BDBM50269702 (CHEMBL4061901) Show SMILES CC(C)N1CCC(CC1)N(C)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C18H26N4O2/c1-12(2)22-9-6-13(7-10-22)21(4)17(23)15-11-20(3)18(24)16-14(15)5-8-19-16/h5,8,11-13,19H,6-7,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542050 (CHEMBL4636484 | US11414384, Example 93 Isomer 2) Show SMILES Cc1nc(C(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)c2ccc(cn12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C29H26N6O/c1-20-33-28(26-13-12-24(19-35(20)26)25-17-32-34(2)18-25)29(36)27(23-6-4-3-5-7-23)31-15-14-21-8-10-22(16-30)11-9-21/h3-13,17-19,27,31H,14-15H2,1-2H3/t27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542048 (CHEMBL4648100 | US11414384, Example 77) Show SMILES Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)C(=O)C(NCCc1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C28H24N6O/c1-34-18-23(17-31-34)22-11-12-24-25(15-22)32-33-27(24)28(35)26(21-5-3-2-4-6-21)30-14-13-19-7-9-20(16-29)10-8-19/h2-12,15,17-18,26,30H,13-14H2,1H3,(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542058 (CHEMBL4642909 | US11274090, Example 57 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nn1 |r| Show InChI InChI=1S/C25H23N7O/c1-32-17-21(16-28-32)22-11-12-23(31-30-22)29-25(33)24(20-5-3-2-4-6-20)27-14-13-18-7-9-19(15-26)10-8-18/h2-12,16-17,24,27H,13-14H2,1H3,(H,29,31,33)/t24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50269706 (CHEMBL4088418) Show SMILES CN(C1CCN(C)CC1)C(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C16H22N4O2/c1-18-8-5-11(6-9-18)20(3)15(21)13-10-19(2)16(22)14-12(13)4-7-17-14/h4,7,10-11,17H,5-6,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	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))	BDBM50269705 (CHEMBL4102588) Show SMILES CN1CCC(CC1)NC(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C15H20N4O2/c1-18-7-4-10(5-8-18)17-14(20)12-9-19(2)15(21)13-11(12)3-6-16-13/h3,6,9-10,16H,4-5,7-8H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 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))	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	1.40E+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 9 (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	1.50E+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
Bromodomain-containing protein 9 (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	1.60E+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 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
Bromodomain-containing protein 9 (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	1.70E+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
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269698 (CHEMBL4093696) Show SMILES CN(C1CCN(CC1)c1cc(ncn1)C1CC1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C24H28N6O2/c1-3-10-30-14-19(18-6-9-25-22(18)24(30)32)23(31)28(2)17-7-11-29(12-8-17)21-13-20(16-4-5-16)26-15-27-21/h3,6,9,13-17,25H,1,4-5,7-8,10-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50542060 (CHEMBL4641354 | US11274090, Example 33 Isomer 2) Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM50269686 (CHEMBL4077036) Show SMILES CN(C1CCN(CC1)c1ccncn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C21H24N6O2/c1-3-10-27-13-17(16-4-9-23-19(16)21(27)29)20(28)25(2)15-6-11-26(12-7-15)18-5-8-22-14-24-18/h3-5,8-9,13-15,23H,1,6-7,10-12H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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 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
Transcription initiation factor TFIID subunit 1 (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	2.40E+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 9 (Homo sapiens (Human))	BDBM50269705 (CHEMBL4102588) Show SMILES CN1CCC(CC1)NC(=O)c1cn(C)c(=O)c2[nH]ccc12 Show InChI InChI=1S/C15H20N4O2/c1-18-7-4-10(5-8-18)17-14(20)12-9-19(2)15(21)13-11(12)3-6-16-13/h3,6,9-10,16H,4-5,7-8H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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
Transcription initiation factor TFIID subunit 1 (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	2.50E+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 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

Displayed 1 to 50 (of 127 total )  |  Next  |  Last  >>

Jump to: