Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'chinnapattu' and Initial = 'm'   

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
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123125 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES CN1[C@H](CNC(=O)OC[C@H](Nc2nc(Nc3cc(n(C)n3)C(C)(C)C)c3c[nH]nc3n2)c2ccccc2)CNC1=O Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-11-21(36-38(20)5)32-22-18-14-30-35-23(18)34-24(33-22)31-19(16-9-7-6-8-10-16)15-41-26(40)29-13-17-12-28-25(39)37(17)4/h6-11,14,17,19H,12-13,15H2,1-5H3,(H,28,39)(H,29,40)(H3,30,31,32,33,34,35,36)/t17-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448084 (US10689395, Compound k | US11267820, Compound k) Show SMILES CCNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(cc1)C#N |c:7| Show InChI InChI=1S/C25H24N4O2S/c1-5-27-21(30)11-20-18-10-22(31)29(4)13-19(18)25-23(14(2)15(3)32-25)24(28-20)17-8-6-16(12-26)7-9-17/h6-10,13,20H,5,11H2,1-4H3,(H,27,30)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448084 (US10689395, Compound k | US11267820, Compound k) Show SMILES CCNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(cc1)C#N |c:7| Show InChI InChI=1S/C25H24N4O2S/c1-5-27-21(30)11-20-18-10-22(31)29(4)13-19(18)25-23(14(2)15(3)32-25)24(28-20)17-8-6-16(12-26)7-9-17/h6-10,13,20H,5,11H2,1-4H3,(H,27,30)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123114 ((1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123118 ((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260101 (CHEMBL4068487 | US10689390, Compound 38 | US113193...) Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H23F2N3O3/c1-4-28-22(31)12-21-16-11-23(32)30(2)13-18(16)15-9-8-14(33-3)10-17(15)25(29-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260101 (CHEMBL4068487 | US10689390, Compound 38 | US113193...) Show SMILES CCNC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H23F2N3O3/c1-4-28-22(31)12-21-16-11-23(32)30(2)13-18(16)15-9-8-14(33-3)10-17(15)25(29-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123127 ((R)-((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)N3CCOC(CN)C3)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123107 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)cc1C(C)(C)C |r| Show InChI InChI=1S/C21H32N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h10-11,13,15,30H,5-9,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123123 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123111 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448073 (US10689390, Compound 23 | US11319326, Compound 23) Show SMILES CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H22F2N2O4/c1-4-33-23(31)12-21-16-11-22(30)29(2)13-18(16)15-9-8-14(32-3)10-17(15)25(28-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448091 (US10689395, Compound bb | US11267820, Compound bb) Show SMILES CCNC(=O)CC1OC(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-5-26-20(28)11-19-17-10-21(29)27(4)12-18(17)24-22(13(2)14(3)31-24)23(30-19)15-6-8-16(25)9-7-15/h6-10,12,19,23H,5,11H2,1-4H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123124 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCc3cc(=O)c(O)cn3O)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C |r| Show InChI InChI=1S/C27H32N10O6/c1-27(2,3)22-11-23(33-36(22)4)31-24-21-13-29-35-43(21)34-25(32-24)30-18(16-8-6-5-7-9-16)15-42-26(40)28-12-17-10-19(38)20(39)14-37(17)41/h5-11,13-14,18,35,39,41H,12,15H2,1-4H3,(H,28,40)(H2,30,31,32,33,34)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448094 (US10689395, Compound ll | US11267820, Compound ll) Show SMILES CCNC(=O)CC1OC(c2c(cnn2C)-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O3/c1-4-24-19(28)10-18-15-9-20(29)26(2)12-17(15)16-11-25-27(3)21(16)22(30-18)13-5-7-14(23)8-6-13/h5-9,11-12,18,22H,4,10H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448091 (US10689395, Compound bb | US11267820, Compound bb) Show SMILES CCNC(=O)CC1OC(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN2O3S/c1-5-26-20(28)11-19-17-10-21(29)27(4)12-18(17)24-22(13(2)14(3)31-24)23(30-19)15-6-8-16(25)9-7-15/h6-10,12,19,23H,5,11H2,1-4H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448073 (US10689390, Compound 23 | US11319326, Compound 23) Show SMILES CCOC(=O)CC1N=C(c2cc(OC)ccc2-c2cn(C)c(=O)cc12)c1c(F)cccc1F |c:7| Show InChI InChI=1S/C25H22F2N2O4/c1-4-33-23(31)12-21-16-11-22(30)29(2)13-18(16)15-9-8-14(32-3)10-17(15)25(28-21)24-19(26)6-5-7-20(24)27/h5-11,13,21H,4,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448086 (US10689395, Compound m | US11267820, Compound m) Show SMILES CCNC(=O)CC1N=C(c2nc(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C22H21ClN4O2S/c1-4-24-18(28)10-17-15-9-19(29)27(3)11-16(15)22-21(25-12(2)30-22)20(26-17)13-5-7-14(23)8-6-13/h5-9,11,17H,4,10H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448086 (US10689395, Compound m | US11267820, Compound m) Show SMILES CCNC(=O)CC1N=C(c2nc(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C22H21ClN4O2S/c1-4-24-18(28)10-17-15-9-19(29)27(3)11-16(15)22-21(25-12(2)30-22)20(26-17)13-5-7-14(23)8-6-13/h5-9,11,17H,4,10H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448094 (US10689395, Compound ll | US11267820, Compound ll) Show SMILES CCNC(=O)CC1OC(c2c(cnn2C)-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O3/c1-4-24-19(28)10-18-15-9-20(29)26(2)12-17(15)16-11-25-27(3)21(16)22(30-18)13-5-7-14(23)8-6-13/h5-9,11-12,18,22H,4,10H2,1-3H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123119 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES COc1cc(ccn1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C21H27N9O2/c1-21(2,3)15-9-16(29-30(15)4)25-18-13-10-23-28-19(13)27-20(26-18)24-14(11-31)12-6-7-22-17(8-12)32-5/h6-10,14,31H,11H2,1-5H3,(H3,23,24,25,26,27,28,29)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123124 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCc3cc(=O)c(O)cn3O)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C |r| Show InChI InChI=1S/C27H32N10O6/c1-27(2,3)22-11-23(33-36(22)4)31-24-21-13-29-35-43(21)34-25(32-24)30-18(16-8-6-5-7-9-16)15-42-26(40)28-12-17-10-19(38)20(39)14-37(17)41/h5-11,13-14,18,35,39,41H,12,15H2,1-4H3,(H,28,40)(H2,30,31,32,33,34)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448074 (US10689390, Compound 25 | US11319326, Compound 25) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H24ClN3O3/c1-4-27-23(30)13-22-19-12-24(31)29(2)14-21(19)18-10-9-17(32-3)11-20(18)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448074 (US10689390, Compound 25 | US11319326, Compound 25) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H24ClN3O3/c1-4-27-23(30)13-22-19-12-24(31)29(2)14-21(19)18-10-9-17(32-3)11-20(18)25(28-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448092 (US10689395, Compound ee | US11267820, Compound ee) Show SMILES Cc1sc-2c(C(OC(CC(N)=O)c3cc(=O)n(C)cc-23)c2ccc(Cl)cc2)c1C Show InChI InChI=1S/C22H21ClN2O3S/c1-11-12(2)29-22-16-10-25(3)19(27)8-15(16)17(9-18(24)26)28-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17,21H,9H2,1-3H3,(H2,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123122 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H31N9O3/c1-24(2,3)18-12-19(32-33(18)4)28-20-16-13-26-31-21(16)30-22(29-20)27-17(15-8-6-5-7-9-15)14-36-23(35)25-10-11-34/h5-9,12-13,17,34H,10-11,14H2,1-4H3,(H,25,35)(H3,26,27,28,29,30,31,32)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260078 (CHEMBL4095826 | US10689390, Compound 26 | US113193...) Show SMILES CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H31N3O3/c1-4-26-23(29)14-22-19-13-24(30)28(2)15-21(19)18-11-10-17(31-3)12-20(18)25(27-22)16-8-6-5-7-9-16/h10-13,15-16,22H,4-9,14H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123114 ((1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448088 (US10689395, Compound t | US11267820, Compound t) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ncc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H23ClN4O3/c1-4-26-21(30)11-20-16-10-23(31)29(2)13-19(16)18-12-27-22(32-3)9-17(18)24(28-20)14-5-7-15(25)8-6-14/h5-10,12-13,20H,4,11H2,1-3H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448075 (US10689395, Compound e | US11267820, Compound e) Show SMILES Cc1sc-2c(c1C)C(=NC(CC(N)=O)c1cc(=O)n(C)cc-21)c1ccc(Cl)cc1 |c:8| Show InChI InChI=1S/C22H20ClN3O2S/c1-11-12(2)29-22-16-10-26(3)19(28)8-15(16)17(9-18(24)27)25-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17H,9H2,1-3H3,(H2,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260078 (CHEMBL4095826 | US10689390, Compound 26 | US113193...) Show SMILES CCNC(=O)CC1N=C(C2CCCCC2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H31N3O3/c1-4-26-23(29)14-22-19-13-24(30)28(2)15-21(19)18-11-10-17(31-3)12-20(18)25(27-22)16-8-6-5-7-9-16/h10-13,15-16,22H,4-9,14H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448092 (US10689395, Compound ee | US11267820, Compound ee) Show SMILES Cc1sc-2c(C(OC(CC(N)=O)c3cc(=O)n(C)cc-23)c2ccc(Cl)cc2)c1C Show InChI InChI=1S/C22H21ClN2O3S/c1-11-12(2)29-22-16-10-25(3)19(27)8-15(16)17(9-18(24)26)28-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17,21H,9H2,1-3H3,(H2,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448088 (US10689395, Compound t | US11267820, Compound t) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ncc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H23ClN4O3/c1-4-26-21(30)11-20-16-10-23(31)29(2)13-19(16)18-12-27-22(32-3)9-17(18)24(28-20)14-5-7-15(25)8-6-14/h5-10,12-13,20H,4,11H2,1-3H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448075 (US10689395, Compound e | US11267820, Compound e) Show SMILES Cc1sc-2c(c1C)C(=NC(CC(N)=O)c1cc(=O)n(C)cc-21)c1ccc(Cl)cc1 |c:8| Show InChI InChI=1S/C22H20ClN3O2S/c1-11-12(2)29-22-16-10-26(3)19(28)8-15(16)17(9-18(24)27)25-21(20(11)22)13-4-6-14(23)7-5-13/h4-8,10,17H,9H2,1-3H3,(H2,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448070 (US10689395, Compound b | US11267820, Compound b) Show SMILES CCNC(=O)CC1N=C(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C24H24ClN3O2S/c1-5-26-20(29)11-19-17-10-21(30)28(4)12-18(17)24-22(13(2)14(3)31-24)23(27-19)15-6-8-16(25)9-7-15/h6-10,12,19H,5,11H2,1-4H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448070 (US10689395, Compound b | US11267820, Compound b) Show SMILES CCNC(=O)CC1N=C(c2c(C)c(C)sc2-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C24H24ClN3O2S/c1-5-26-20(29)11-19-17-10-21(30)28(4)12-18(17)24-22(13(2)14(3)31-24)23(27-19)15-6-8-16(25)9-7-15/h6-10,12,19H,5,11H2,1-4H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689395 (2020) BindingDB Entry DOI: 10.7270/Q21J9DTK
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123122 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H31N9O3/c1-24(2,3)18-12-19(32-33(18)4)28-20-16-13-26-31-21(16)30-22(29-20)27-17(15-8-6-5-7-9-15)14-36-23(35)25-10-11-34/h5-9,12-13,17,34H,10-11,14H2,1-4H3,(H,25,35)(H3,26,27,28,29,30,31,32)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM50260080 (CHEMBL4088097 | US10689390, Compound 14 | US113193...) Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H23ClN2O4/c1-4-32-24(30)13-22-19-12-23(29)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(27-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123125 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES CN1[C@H](CNC(=O)OC[C@H](Nc2nc(Nc3cc(n(C)n3)C(C)(C)C)c3c[nH]nc3n2)c2ccccc2)CNC1=O Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-11-21(36-38(20)5)32-22-18-14-30-35-23(18)34-24(33-22)31-19(16-9-7-6-8-10-16)15-41-26(40)29-13-17-12-28-25(39)37(17)4/h6-11,14,17,19H,12-13,15H2,1-5H3,(H,28,39)(H,29,40)(H3,30,31,32,33,34,35,36)/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50260080 (CHEMBL4088097 | US10689390, Compound 14 | US113193...) Show SMILES CCOC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C25H23ClN2O4/c1-4-32-24(30)13-22-19-12-23(29)28(2)14-21(19)18-10-9-17(31-3)11-20(18)25(27-22)15-5-7-16(26)8-6-15/h5-12,14,22H,4,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448083 (US10689390, Compound 39 | US11319326, Compound 39) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C26H26ClN3O3/c1-5-28-24(31)13-23-20-12-25(32)30(3)14-22(20)19-9-7-17(33-4)11-21(19)26(29-23)18-8-6-16(27)10-15(18)2/h6-12,14,23H,5,13H2,1-4H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448081 (US10689390, Compound 37 | US11319326, Compound 37) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(F)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H21ClFN3O2/c1-3-27-22(30)12-21-18-11-23(31)29(2)13-20(18)17-9-8-16(26)10-19(17)24(28-21)14-4-6-15(25)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Pseudomonas aeruginosa (G-proteobacteria))	BDBM123117 ((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES COc1ccc(cc1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1 Show InChI InChI=1S/C22H28N8O2/c1-22(2,3)17-10-18(29-30(17)4)25-19-15-11-23-28-20(15)27-21(26-19)24-16(12-31)13-6-8-14(32-5)9-7-13/h6-11,16,31H,12H2,1-5H3,(H3,23,24,25,26,27,28,29)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448083 (US10689390, Compound 39 | US11319326, Compound 39) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2C)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C26H26ClN3O3/c1-5-28-24(31)13-23-20-12-25(32)30(3)14-22(20)19-9-7-17(33-4)11-21(19)26(29-23)18-8-6-16(27)10-15(18)2/h6-12,14,23H,5,13H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448081 (US10689390, Compound 37 | US11319326, Compound 37) Show SMILES CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(F)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H21ClFN3O2/c1-3-27-22(30)12-21-18-11-23(31)29(2)13-20(18)17-9-8-16(26)10-19(17)24(28-21)14-4-6-15(25)7-5-14/h4-11,13,21H,3,12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123123 ((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...) Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
UDP-N-acetylmuramate--L-alanine ligase (Escherichia coli)	BDBM123118 ((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...) Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca India Pvt. Ltd.					Assay Description The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...				ACS Chem Biol 9: 2274-82 (2014) Article DOI: 10.1021/cb500360c BindingDB Entry DOI: 10.7270/Q2KS6Q7X
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448076 (US10689390, Compound 27 | US11319326, Compound 27) Show SMILES CCNC(=O)CC1N=C(c2ccccn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H24N4O3/c1-4-25-22(29)13-21-17-12-23(30)28(2)14-19(17)16-9-8-15(31-3)11-18(16)24(27-21)20-7-5-6-10-26-20/h5-12,14,21H,4,13H2,1-3H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
JUBILANT BIOSYS LIMITED US Patent					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				US Patent US10689390 (2020) BindingDB Entry DOI: 10.7270/Q25B05JV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM448076 (US10689390, Compound 27 | US11319326, Compound 27) Show SMILES CCNC(=O)CC1N=C(c2ccccn2)c2cc(OC)ccc2-c2cn(C)c(=O)cc12 |t:7| Show InChI InChI=1S/C24H24N4O3/c1-4-25-22(29)13-21-17-12-23(30)28(2)14-19(17)16-9-8-15(31-3)11-18(16)24(27-21)20-7-5-6-10-26-20/h5-12,14,21H,4,13H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZZ2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM448090 (US10689395, Compound z | US11267820, Compound z) Show SMILES CCNC(=O)C[C@@H]1N=C(c2c(cnn2C)-c2cn(C)c(=O)cc12)c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-19(29)10-18-15-9-20(30)27(2)12-17(15)16-11-25-28(3)22(16)21(26-18)13-5-7-14(23)8-6-13/h5-9,11-12,18H,4,10H2,1-3H3,(H,24,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired c...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H1X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 198 total )  |  Next  |  Last  >>

Jump to: