Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'rumpel' and Initial = 'k'   

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
GTPase KRas (Homo sapiens (Human))	BDBM50607576 (CHEMBL5218642) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(n1)-c1noc(n1)[C@@]1(C)CCCc2sc(N)c(C#N)c12)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607575 (CHEMBL5221087) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(c1)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607574 (CHEMBL5218841) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514402 (CHEMBL4535757 | US11345701, Compound Amg-510) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)| Show InChI InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607573 (CHEMBL5219918) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(NC(=O)C=C)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50581660 (CHEMBL1714813) Show SMILES COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01949 BindingDB Entry DOI: 10.7270/Q2154MXQ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519121 (CHEMBL4436264 | US11304929, Example 03-005) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519122 (CHEMBL4467246 | US11304929, Example 03-009) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21ClN2O5S/c1-12-8-17(22)16-10-19(24(3)18(16)9-12)21(27)23-13(2)14-4-6-15(7-5-14)30(28,29)11-20(25)26/h4-10,13H,11H2,1-3H3,(H,23,27)(H,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519130 (CHEMBL4520837 | US11304929, Example 03-006) Show SMILES Cc1cc2n(C)c(cc2c(Cl)c1Cl)C(=O)N[C@H](CO)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O6S/c1-11-7-16-14(20(23)19(11)22)8-17(25(16)2)21(29)24-15(9-26)12-3-5-13(6-4-12)32(30,31)10-18(27)28/h3-8,15,26H,9-10H2,1-2H3,(H,24,29)(H,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519121 (CHEMBL4436264 | US11304929, Example 03-005) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O5S/c1-11-8-16-15(20(23)19(11)22)9-17(25(16)3)21(28)24-12(2)13-4-6-14(7-5-13)31(29,30)10-18(26)27/h4-9,12H,10H2,1-3H3,(H,24,28)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519122 (CHEMBL4467246 | US11304929, Example 03-009) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21ClN2O5S/c1-12-8-17(22)16-10-19(24(3)18(16)9-12)21(27)23-13(2)14-4-6-15(7-5-14)30(28,29)11-20(25)26/h4-10,13H,11H2,1-3H3,(H,23,27)(H,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt 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
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183567 (CHEMBL3823177) Show SMILES COc1cc(cc(OC)c1CN1CC(N)C1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519137 (CHEMBL4539932) Show SMILES CC(=O)NS(=O)(=O)N1CCC(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)C(CC(O)=O)C1 Show InChI InChI=1S/C19H22Cl2N4O6S/c1-10(26)23-32(30,31)25-6-5-14(11(9-25)7-17(27)28)22-19(29)16-8-12-15(24(16)2)4-3-13(20)18(12)21/h3-4,8,11,14H,5-7,9H2,1-2H3,(H,22,29)(H,23,26)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of His6-tagged PHGDH (unknown origin) expressed in Escherichia coli BL21 assessed as effect on NADH fluorescence incubated for 60 mins usi...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519120 (CHEMBL4438014) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H18Cl2N2O3/c1-10-8-15-14(18(22)17(10)21)9-16(24(15)3)19(25)23-11(2)12-4-6-13(7-5-12)20(26)27/h4-9,11H,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183448 (CHEMBL3823478 | US11773085, Compound B2) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183568 (CHEMBL3823369) Show SMILES COc1cc(cc(OC)c1CN1CC(O)C1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519114 (CHEMBL4458393 | US11304929, Example 04-001) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)CC(O)=O |r| Show InChI InChI=1S/C21H21N3O5S/c1-14(15-8-10-17(11-9-15)30(28,29)13-20(25)26)22-21(27)19-12-18(23-24(19)2)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,27)(H,25,26)/t14-/m1/s1	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
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519093 (CHEMBL4522467) Show SMILES C[C@@H](NC(=O)c1cc2c(cc(C)c3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H22N2O3/c1-14-12-21-20(19-7-5-4-6-18(14)19)13-22(26(21)3)23(27)25-15(2)16-8-10-17(11-9-16)24(28)29/h4-13,15H,1-3H3,(H,25,27)(H,28,29)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519150 (CHEMBL4594097) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-16(21)15-10-18(23(3)17(15)9-11)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519131 (CHEMBL4518579 | US11304929, Example 01-002) Show SMILES CCOC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C |r| Show InChI InChI=1S/C23H24Cl2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of PHGDH in human MDA-MB-468 cells assessed as reduction in [13C]-serine incubated for 1 hr using [13C]glucose as substrate by LC-MS/MS an...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519118 (CHEMBL4473052) Show SMILES CCc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c2c1 |r| Show InChI InChI=1S/C21H21ClN2O3/c1-4-13-9-17(22)16-11-19(24(3)18(16)10-13)20(25)23-12(2)14-5-7-15(8-6-14)21(26)27/h5-12H,4H2,1-3H3,(H,23,25)(H,26,27)/t12-/m1/s1	PDB UniProtKB/SwissProt 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
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183561 (CHEMBL3824146) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-18-19(25-4)10-14(11-20(18)26-5)17-13-23(3)21(24)16-9-7-6-8-15(16)17/h6-11,13H,12H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519090 (CHEMBL4469992) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16Cl2N2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)16-9-13-15(23(16)2)8-7-14(20)17(13)21/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt 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
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Son of sevenless homolog 1 (Homo sapiens (Human))	BDBM50581659 (CHEMBL4519023 | US20230339952, Comparative Compoun...) Show SMILES COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]1CCOC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SOS1-mediated proliferation of human DLD-1 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01949 BindingDB Entry DOI: 10.7270/Q2154MXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183453 (CHEMBL3824312) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12 Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183562 (CHEMBL3823599) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c(C)c1C Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-15(12)14-8-17(23-6)16(10-20(3)4)18(9-14)24-7/h8-9,11H,10H2,1-7H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50183562 (CHEMBL3823599) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c(C)c1C Show InChI InChI=1S/C19H26N2O3/c1-12-13(2)19(22)21(5)11-15(12)14-8-17(23-6)16(10-20(3)4)18(9-14)24-7/h8-9,11H,10H2,1-7H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519117 (CHEMBL4474620) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H19ClN2O3/c1-11-8-17-15(9-16(11)21)10-18(23(17)3)19(24)22-12(2)13-4-6-14(7-5-13)20(25)26/h4-10,12H,1-3H3,(H,22,24)(H,25,26)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183564 (CHEMBL3822990) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C18H24N2O3/c1-12-7-14(10-20(4)18(12)21)13-8-16(22-5)15(11-19(2)3)17(9-13)23-6/h7-10H,11H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183563 (CHEMBL3823697) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1C Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)14-9-17(23-6)16(11-20(3)4)18(10-14)24-7/h8-10H,11H2,1-7H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519116 (CHEMBL4457646) Show SMILES C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O3/c1-14(15-7-9-17(10-8-15)23(27)28)24-22(26)21-13-19-18-6-4-3-5-16(18)11-12-20(19)25(21)2/h3-14H,1-2H3,(H,24,26)(H,27,28)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519129 (CHEMBL4560125) Show SMILES C[C@@H](NC(=O)c1cc2cc(Cl)c(Br)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16BrClN2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)17-8-13-7-15(21)14(20)9-16(13)23(17)2/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519136 (CHEMBL4565713) Show SMILES CC(NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(C)=O Show InChI InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519092 (CHEMBL4437057) Show SMILES COc1cc(Cl)cc2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c12 |r| Show InChI InChI=1S/C20H19ClN2O4/c1-11(12-4-6-13(7-5-12)20(25)26)22-19(24)16-9-14-8-15(21)10-17(27-3)18(14)23(16)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	72	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183449 (CHEMBL3823101 | US11773085, Compound B23) Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519119 (CHEMBL4444192) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)cc(cc2n1C)C(F)F)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H17ClF2N2O3/c1-10(11-3-5-12(6-4-11)20(27)28)24-19(26)17-9-14-15(21)7-13(18(22)23)8-16(14)25(17)2/h3-10,18H,1-2H3,(H,24,26)(H,27,28)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519120 (CHEMBL4438014) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)c(C)cc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C20H18Cl2N2O3/c1-10-8-15-14(18(22)17(10)21)9-16(24(15)3)19(25)23-11(2)12-4-6-13(7-5-12)20(26)27/h4-9,11H,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519108 (CHEMBL4446190) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)N1[C@@H](CCC1=O)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(16-8-10-18(11-9-16)28-20(24(31)32)12-13-22(28)29)25-23(30)21-14-19(26-27(21)2)17-6-4-3-5-7-17/h3-11,14-15,20H,12-13H2,1-2H3,(H,25,30)(H,31,32)/t15-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519134 (CHEMBL4588817) Show SMILES C[C@@H](NC(=O)c1cc(nn1C)-c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(C)=O |r| Show InChI InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50183561 (CHEMBL3824146) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-18-19(25-4)10-14(11-20(18)26-5)17-13-23(3)21(24)16-9-7-6-8-15(16)17/h6-11,13H,12H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50183448 (CHEMBL3823478 | US11773085, Compound B2) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50183448 (CHEMBL3823478 | US11773085, Compound B2) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human BRD7 measured after mins by AlphaScreen assay				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519153 (CHEMBL4460522) Show SMILES COc1cc(F)c(Cl)c2cc(C(=O)N[C@H](C)c3ccc(cc3)C(O)=O)n(C)c12 |r| Show InChI InChI=1S/C20H18ClFN2O4/c1-10(11-4-6-12(7-5-11)20(26)27)23-19(25)15-8-13-17(21)14(22)9-16(28-3)18(13)24(15)2/h4-10H,1-3H3,(H,23,25)(H,26,27)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183517 (CHEMBL3823859 | US11773085, Compound B50) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2ccncc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)14-6-7-21-10-15(14)16/h6-10,12H,11H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183452 (CHEMBL3824351) Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cc(C)c(=O)n(C)c1C Show InChI InChI=1S/C19H26N2O3/c1-12-8-15(13(2)21(5)19(12)22)16-10-17(23-6)14(11-20(3)4)9-18(16)24-7/h8-10H,11H2,1-7H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183450 (CHEMBL3824133) Show SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C21H24N2O3/c1-22(2)12-14-10-20(26-5)17(11-19(14)25-4)18-13-23(3)21(24)16-9-7-6-8-15(16)18/h6-11,13H,12H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183454 (CHEMBL3822539) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cccnc12 Show InChI InChI=1S/C20H23N3O3/c1-22(2)11-16-17(25-4)9-13(10-18(16)26-5)15-12-23(3)20(24)14-7-6-8-21-19(14)15/h6-10,12H,11H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 7 (Homo sapiens (Human))	BDBM50183453 (CHEMBL3824312) Show SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cncnc12 Show InChI InChI=1S/C19H22N4O3/c1-22(2)9-15-16(25-4)6-12(7-17(15)26-5)14-10-23(3)19(24)13-8-20-11-21-18(13)14/h6-8,10-11H,9H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50183570 (CHEMBL3824289) Show SMILES CCc1cc(cc(OC)c1CN(C)C)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H26N2O2/c1-7-14-9-15(10-18(23-6)17(14)12-20(3)4)16-8-13(2)19(22)21(5)11-16/h8-11H,7,12H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...				J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ
					More data for this Ligand-Target Pair
D-3-phosphoglycerate dehydrogenase (Homo sapiens (Human))	BDBM50519090 (CHEMBL4469992) Show SMILES C[C@@H](NC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C19H16Cl2N2O3/c1-10(11-3-5-12(6-4-11)19(25)26)22-18(24)16-9-13-15(23(16)2)8-7-14(20)17(13)21/h3-10H,1-2H3,(H,22,24)(H,25,26)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim RCV GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate...				J Med Chem 62: 7976-7997 (2019) Article DOI: 10.1021/acs.jmedchem.9b00718 BindingDB Entry DOI: 10.7270/Q25H7KNJ
					More data for this Ligand-Target Pair

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