Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'lakshminarasimhan' and Initial = 'd'   

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
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Mixed type inhibition of PHGDH (unknown origin) using 3-PG as substrate incubated for 20 mins in presence of , PSAT1, PSPH and varying NAD+ by diapho...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 1 hr by alpha-screen ass...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512584 (CHEMBL4443265) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1 Show InChI InChI=1S/C26H21Cl2N3O4/c1-31-20-9-8-19(27)23(28)18(20)11-21(31)24(32)30-26(13-35-14-26)17-6-4-15(5-7-17)22(25(33)34)16-3-2-10-29-12-16/h2-12,22H,13-14H2,1H3,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 4 hrs by alpha-screen as...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG 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
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 5 mins by alpha-screen a...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 4 hrs by alpha-screen as...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512573 (CHEMBL4476654) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(CC(O)=O)c1cccnc1 Show InChI InChI=1S/C27H23Cl2N3O4/c1-32-22-9-8-21(28)25(29)20(22)11-23(32)26(35)31-27(14-36-15-27)18-6-4-16(5-7-18)19(12-24(33)34)17-3-2-10-30-13-17/h2-11,13,19H,12,14-15H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512582 (CHEMBL4578644) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C21H18Cl2N2O4/c1-25-16-7-6-15(22)19(23)14(16)9-17(25)20(28)24-21(10-29-11-21)13-4-2-12(3-5-13)8-18(26)27/h2-7,9H,8,10-11H2,1H3,(H,24,28)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463898 (CHEMBL4241469) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512587 (CHEMBL4452531) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(O)=O)c(F)c1 Show InChI InChI=1S/C21H17Cl2FN2O4/c1-26-16-5-4-14(22)19(23)13(16)8-17(26)20(29)25-21(9-30-10-21)12-3-2-11(6-18(27)28)15(24)7-12/h2-5,7-8H,6,9-10H2,1H3,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512589 (CHEMBL4455598) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C20H15Cl2FN2O4/c1-25-15-5-4-13(21)17(22)12(15)7-16(25)18(26)24-20(8-29-9-20)10-2-3-11(19(27)28)14(23)6-10/h2-7H,8-9H2,1H3,(H,24,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365463 (CHEMBL1232461) Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463896 (CHEMBL4244412) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 1 hr by alpha-screen ass...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463900 (CHEMBL4251258) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463895 (CHEMBL4243172) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1 Show InChI InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512574 (CHEMBL4471410) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H16Cl2N2O4/c1-24-15-7-6-14(21)17(22)13(15)8-16(24)18(25)23-20(9-28-10-20)12-4-2-11(3-5-12)19(26)27/h2-8H,9-10H2,1H3,(H,23,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463895 (CHEMBL4243172) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(C3CO3)c(F)c2)c1 Show InChI InChI=1S/C19H17FN2O3/c1-11-19(12(2)25-21-11)14-4-6-18(23)22(9-14)8-13-3-5-15(16(20)7-13)17-10-24-17/h3-7,9,17H,8,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463899 (CHEMBL4246969) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1 Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463900 (CHEMBL4251258) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512571 (CHEMBL4576611) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)NC(CO)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H19ClN2O5/c1-23-16-9-18(28-2)14(21)7-13(16)8-17(23)19(25)22-15(10-24)11-3-5-12(6-4-11)20(26)27/h3-9,15,24H,10H2,1-2H3,(H,22,25)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512590 (CHEMBL4466146) Show SMILES COc1cc2n(C)c(cc2cc1Cl)C(=O)N[C@H](C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)17-9-14-8-15(21)18(27-3)10-16(14)23(17)2/h4-11H,1-3H3,(H,22,24)(H,25,26)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) by surface plasmon resonance method				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512575 (CHEMBL4554985) Show SMILES OC[C@@H](NC(=O)c1cc2cc(Cl)c(OC[C@@H]3CNC(=O)O3)cc2[nH]1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin)				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463897 (CHEMBL4241205) Show SMILES Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(cc3)C3CO3)c2c1 Show InChI InChI=1S/C21H20N4O2/c1-12-20(13(2)27-24-12)16-7-17(22)21-18(8-16)25(11-23-21)9-14-3-5-15(6-4-14)19-10-26-19/h3-8,11,19H,9-10,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 5 mins by alpha-screen a...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463900 (CHEMBL4251258) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccccc2)c1 Show InChI InChI=1S/C17H16N2O2/c1-12-17(13(2)21-18-12)15-8-9-16(20)19(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512585 (CHEMBL4445276) Show SMILES CONC(=O)Cc1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C Show InChI InChI=1S/C22H21Cl2N3O4/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-31-12-22)14-5-3-13(4-6-14)9-19(28)26-30-2/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	287	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512580 (CHEMBL4585294) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512583 (CHEMBL4529734) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CC(=O)NS(C)(=O)=O)cc1 Show InChI InChI=1S/C22H21Cl2N3O5S/c1-27-17-8-7-16(23)20(24)15(17)10-18(27)21(29)25-22(11-32-12-22)14-5-3-13(4-6-14)9-19(28)26-33(2,30)31/h3-8,10H,9,11-12H2,1-2H3,(H,25,29)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase ...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463899 (CHEMBL4246969) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1 Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463899 (CHEMBL4246969) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2ccc(cc2)C2CO2)c1 Show InChI InChI=1S/C19H18N2O3/c1-12-19(13(2)24-20-12)16-7-8-18(22)21(10-16)9-14-3-5-15(6-4-14)17-11-23-17/h3-8,10,17H,9,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512572 (CHEMBL4556384) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C25H21Cl2N3O3/c1-30-20-9-8-19(26)22(27)18(20)11-21(30)24(32)29-25(13-33-14-25)17-6-4-15(5-7-17)23(31)16-3-2-10-28-12-16/h2-12,23,31H,13-14H2,1H3,(H,29,32)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463898 (CHEMBL4241469) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen ...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512581 (CHEMBL4473812) Show SMILES CCOC(=O)C(c1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1cccnc1 Show InChI InChI=1S/C28H25Cl2N3O4/c1-3-37-27(35)24(18-5-4-12-31-14-18)17-6-8-19(9-7-17)28(15-36-16-28)32-26(34)23-13-20-22(33(23)2)11-10-21(29)25(20)30/h4-14,24H,3,15-16H2,1-2H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50463898 (CHEMBL4241469) Show SMILES Cc1noc(C)c1-c1ccc(=O)n(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C17H15FN2O2/c1-11-17(12(2)22-19-11)14-6-7-16(21)20(10-14)9-13-4-3-5-15(18)8-13/h3-8,10H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zenith Epigenetics Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-scr...				J Med Chem 61: 8202-8211 (2018) Article DOI: 10.1021/acs.jmedchem.8b00666 BindingDB Entry DOI: 10.7270/Q2F76G6T
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512586 (CHEMBL4589459) Show SMILES CC(OC(C)=O)OC(=O)C(c1ccc(cc1)C1(COC1)NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1cccnc1 Show InChI InChI=1S/C30H27Cl2N3O6/c1-17(36)40-18(2)41-29(38)26(20-5-4-12-33-14-20)19-6-8-21(9-7-19)30(15-39-16-30)34-28(37)25-13-22-24(35(25)3)11-10-23(31)27(22)32/h4-14,18,26H,15-16H2,1-3H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50512579 (CHEMBL4442828) Show SMILES Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(CO)cc1 Show InChI InChI=1S/C20H18Cl2N2O3/c1-24-16-7-6-15(21)18(22)14(16)8-17(24)19(26)23-20(10-27-11-20)13-4-2-12(9-25)3-5-13/h2-8,25H,9-11H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Meyer Cancer Center Curated by ChEMBL					Assay Description Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase...				Bioorg Med Chem Lett 29: 2503-2510 (2019) Article DOI: 10.1016/j.bmcl.2019.07.011 BindingDB Entry DOI: 10.7270/Q27D2ZGJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50094910 (CHEMBL3589475) Show SMILES COc1ccc(cc1)C(=C/c1ccncc1)\C(=O)N1CC(=O)Nc2ccccc12 Show InChI InChI=1S/C23H19N3O3/c1-29-18-8-6-17(7-9-18)19(14-16-10-12-24-13-11-16)23(28)26-15-22(27)25-20-4-2-3-5-21(20)26/h2-14H,15H2,1H3,(H,25,27)/b19-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...				Bioorg Med Chem Lett 25: 2818-23 (2015) Article DOI: 10.1016/j.bmcl.2015.04.107 BindingDB Entry DOI: 10.7270/Q25M67FC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50094913 (CHEMBL3589482) Show SMILES Oc1cc(cc(c1)-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc12 Show InChI InChI=1S/C21H16N2O3/c24-17-11-15(14-6-2-1-3-7-14)10-16(12-17)21(26)23-13-20(25)22-18-8-4-5-9-19(18)23/h1-12,24H,13H2,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labe...				Bioorg Med Chem Lett 25: 2818-23 (2015) Article DOI: 10.1016/j.bmcl.2015.04.107 BindingDB Entry DOI: 10.7270/Q25M67FC
					More data for this Ligand-Target Pair

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