Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50010310   

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
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537308 (CHEMBL4557699) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C21H22ClN5O2/c1-2-3-8-26-13-19(27-14-24-12-18(27)21(26)29)15-4-5-16(17(22)11-15)20(28)25-9-6-23-7-10-25/h2-5,11-14,23H,6-10H2,1H3/b3-2+	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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537321 (CHEMBL4559707) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(CC3)S(C)(=O)=O)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C22H24ClN5O4S/c1-3-4-7-26-14-20(28-15-24-13-19(28)22(26)30)16-5-6-17(18(23)12-16)21(29)25-8-10-27(11-9-25)33(2,31)32/h3-6,12-15H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537319 (CHEMBL4526986) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCC(CC3)C(N)=O)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C23H24ClN5O3/c1-2-3-8-28-13-20(29-14-26-12-19(29)23(28)32)16-4-5-17(18(24)11-16)22(31)27-9-6-15(7-10-27)21(25)30/h2-5,11-15H,6-10H2,1H3,(H2,25,30)/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537317 (CHEMBL4527001) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C21H21ClN4O2/c1-2-3-8-25-13-19(26-14-23-12-18(26)21(25)28)15-6-7-16(17(22)11-15)20(27)24-9-4-5-10-24/h2-3,6-7,11-14H,4-5,8-10H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537307 (CHEMBL4522325) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C21H21ClN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	465	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537314 (CHEMBL4483320) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C22H23ClN4O4S/c1-2-3-8-26-13-20(27-14-24-12-19(27)22(26)29)15-4-5-17(18(23)11-15)21(28)25-16-6-9-32(30,31)10-7-16/h2-5,11-14,16H,6-10H2,1H3,(H,25,28)/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537318 (CHEMBL4520599) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C22H24ClN5O2/c1-3-4-7-27-14-20(28-15-24-13-19(28)22(27)30)16-5-6-17(18(23)12-16)21(29)26-10-8-25(2)9-11-26/h3-6,12-15H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	557	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537315 (CHEMBL4549494) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCN(CC3)S(C)(=O)=O)c(F)c2)n2cncc2c1=O Show InChI InChI=1S/C22H24FN5O4S/c1-3-4-7-26-14-20(28-15-24-13-19(28)22(26)30)16-5-6-17(18(23)12-16)21(29)25-8-10-27(11-9-25)33(2,31)32/h3-6,12-15H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	652	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537310 (CHEMBL4543384) Show SMILES CCCCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C21H24ClN5O2/c1-2-3-8-26-13-19(27-14-24-12-18(27)21(26)29)15-4-5-16(17(22)11-15)20(28)25-9-6-23-7-10-25/h4-5,11-14,23H,2-3,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537316 (CHEMBL4535661) Show SMILES C\C=C\Cn1cc(-c2ccc(cc2Cl)C(=O)N2CCOCC2)n2cncc2c1=O Show InChI InChI=1S/C21H21ClN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)16-5-4-15(11-17(16)22)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	763	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537322 (CHEMBL4542104) Show SMILES CCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C19H20ClN5O2/c1-2-23-11-17(25-12-22-10-16(25)19(23)27)13-3-4-14(15(20)9-13)18(26)24-7-5-21-6-8-24/h3-4,9-12,21H,2,5-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	802	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537309 (CHEMBL4529127) Show SMILES CCCCn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C21H23ClN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h4-5,11-14H,2-3,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537325 (CHEMBL4583337) Show SMILES C\C=C\Cn1cc(-c2ccc(cc2Cl)C(=O)N2CCN(CC2)S(C)(=O)=O)n2cncc2c1=O Show InChI InChI=1S/C22H24ClN5O4S/c1-3-4-7-26-14-20(28-15-24-13-19(28)22(26)30)17-6-5-16(12-18(17)23)21(29)25-8-10-27(11-9-25)33(2,31)32/h3-6,12-15H,7-11H2,1-2H3/b4-3+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537305 (CHEMBL4582127) Show SMILES CCCn1cc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C20H22ClN5O2/c1-2-7-25-12-18(26-13-23-11-17(26)20(25)28)14-3-4-15(16(21)10-14)19(27)24-8-5-22-6-9-24/h3-4,10-13,22H,2,5-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537324 (CHEMBL4524188) Show SMILES C\C=C\Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O Show InChI InChI=1S/C21H21FN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	967	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537320 (CHEMBL4567732) Show SMILES CCn1cc(-c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C20H21ClN4O4S/c1-2-24-11-18(25-12-22-10-17(25)20(24)27)13-3-4-15(16(21)9-13)19(26)23-14-5-7-30(28,29)8-6-14/h3-4,9-12,14H,2,5-8H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537311 (CHEMBL4540816) Show SMILES Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)n2cncc2c1=O Show InChI InChI=1S/C18H17ClN4O3/c1-21-10-16(23-11-20-9-15(23)18(21)25)12-2-3-13(14(19)8-12)17(24)22-4-6-26-7-5-22/h2-3,8-11H,4-7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537323 (CHEMBL4551010) Show SMILES Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)n2cncc2c1=O Show InChI InChI=1S/C18H18N4O3/c1-20-11-16(22-12-19-10-15(22)18(20)24)13-2-4-14(5-3-13)17(23)21-6-8-25-9-7-21/h2-5,10-12H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537313 (CHEMBL4540778) Show SMILES COc1cccc(c1)-c1cn(C)c(=O)c2cncn12 Show InChI InChI=1S/C14H13N3O2/c1-16-8-13(10-4-3-5-11(6-10)19-2)17-9-15-7-12(17)14(16)18/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537306 (CHEMBL4569653) Show SMILES Cn1cc(-c2ccccc2)n2cncc2c1=O Show InChI InChI=1S/C13H11N3O/c1-15-8-12(10-5-3-2-4-6-10)16-9-14-7-11(16)13(15)17/h2-9H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50537312 (CHEMBL4559711) Show SMILES Cn1cc(-c2cccc(c2)C(F)(F)F)n2cncc2c1=O Show InChI InChI=1S/C14H10F3N3O/c1-19-7-12(20-8-18-6-11(20)13(19)21)9-3-2-4-10(5-9)14(15,16)17/h2-8H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins ...				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50157607 (CHEMBL3753082 | US11773085, Compound B24) Show SMILES CC(C)CS(=O)(=O)N[C@H]1CCC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc2c(C)cc(=O)n(C)c2c1 |r| Show InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human BRD9 by isothermal calorimetric titration method				Bioorg Med Chem 27: 1391-1404 (2019) Article DOI: 10.1016/j.bmc.2019.02.045 BindingDB Entry DOI: 10.7270/Q2KK9GBF
					More data for this Ligand-Target Pair				3D Structure (crystal)