Compile Data Set for Download or QSAR

Found 2937 hits with Last Name = 'metobo' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM404301 (US10017501, Compound 1020-289) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM404301 (US10017501, Compound 1020-289) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249309 (US10017501, Compound 1020-114 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccc(C)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249314 (US10017501, Compound 1020-298 | US9458145, 1020-29...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCC(C)(C)O1)c1cccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249309 (US10017501, Compound 1020-114 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCCO1)c1cccc(C)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249305 (US10017501, Compound 1020-103 | US9458145, 1020-10...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1nccs1)c1nccs1 Show InChI InChI=1S/C22H19N5O2S2/c1-11-17(12(2)29-27-11)14-9-15(18-16(10-14)25-19(26-18)13-3-4-13)22(28,20-23-5-7-30-20)21-24-6-8-31-21/h5-10,13,28H,3-4H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249312 (US10017501, Compound 1020-257 | US9458145, 1020-25...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ncccn1)c1ccc(F)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249314 (US10017501, Compound 1020-298 | US9458145, 1020-29...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(C1CCC(C)(C)O1)c1cccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249312 (US10017501, Compound 1020-257 | US9458145, 1020-25...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ncccn1)c1ccc(F)cc1F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249311 (US10017501, Compound 1020-239 | US9458145, 1020-23...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ncccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249311 (US10017501, Compound 1020-239 | US9458145, 1020-23...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ncccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249306 (US10017501, Compound 1020-104 | US9458145, 1020-10...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249307 (US10017501, Compound 1020-112 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249308 (US10017501, Compound 1020-113 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM249310 (US10017501, Compound 1020-224 | US9458145, 1020-22...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1F)C1CC1)C(O)(c1ccccn1)c1ccccn1 |(-3.94,3.57,;-2.6,4.34,;-2.13,5.8,;-.59,5.8,;-.11,4.34,;1.22,3.57,;-1.36,3.44,;-1.36,1.9,;-.02,1.13,;-.02,-.41,;-1.36,-1.18,;-1.68,-2.69,;-3.21,-2.85,;-3.83,-1.45,;-2.69,-.41,;-2.69,1.13,;-4.02,1.9,;-3.98,-4.19,;-5.31,-4.96,;-3.98,-5.73,;1.31,-1.18,;2.64,-1.95,;1.31,-2.72,;-.02,-3.49,;-.02,-5.03,;1.31,-5.8,;2.64,-5.03,;2.64,-3.49,;2.64,-.41,;3.98,-1.18,;5.31,-.41,;5.31,1.13,;3.98,1.9,;2.64,1.13,)| Show InChI InChI=1S/C26H22FN5O2/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249306 (US10017501, Compound 1020-104 | US9458145, 1020-10...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1 Show InChI InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249305 (US10017501, Compound 1020-103 | US9458145, 1020-10...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1nccs1)c1nccs1 Show InChI InChI=1S/C22H19N5O2S2/c1-11-17(12(2)29-27-11)14-9-15(18-16(10-14)25-19(26-18)13-3-4-13)22(28,20-23-5-7-30-20)21-24-6-8-31-21/h5-10,13,28H,3-4H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249308 (US10017501, Compound 1020-113 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249307 (US10017501, Compound 1020-112 | US9458145, 1020-11...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1)C1CC1)C(O)(c1ccccc1)c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM249277 (US10017501, Compound 1020-18 | US9458145, 1020-18) Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)| Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM249310 (US10017501, Compound 1020-224 | US9458145, 1020-22...) Show SMILES Cc1noc(C)c1-c1cc(c2nc([nH]c2c1F)C1CC1)C(O)(c1ccccn1)c1ccccn1 |(-3.94,3.57,;-2.6,4.34,;-2.13,5.8,;-.59,5.8,;-.11,4.34,;1.22,3.57,;-1.36,3.44,;-1.36,1.9,;-.02,1.13,;-.02,-.41,;-1.36,-1.18,;-1.68,-2.69,;-3.21,-2.85,;-3.83,-1.45,;-2.69,-.41,;-2.69,1.13,;-4.02,1.9,;-3.98,-4.19,;-5.31,-4.96,;-3.98,-5.73,;1.31,-1.18,;2.64,-1.95,;1.31,-2.72,;-.02,-3.49,;-.02,-5.03,;1.31,-5.8,;2.64,-5.03,;2.64,-3.49,;2.64,-.41,;3.98,-1.18,;5.31,-.41,;5.31,1.13,;3.98,1.9,;2.64,1.13,)| Show InChI InChI=1S/C26H22FN5O2/c1-14-21(15(2)34-32-14)17-13-18(23-24(22(17)27)31-25(30-23)16-9-10-16)26(33,19-7-3-5-11-28-19)20-8-4-6-12-29-20/h3-8,11-13,16,33H,9-10H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluores...				US Patent US10017501 (2018) BindingDB Entry DOI: 10.7270/Q2CV4M3Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					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	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					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	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50380682 (CHEMBL2017291 | I-BET151 (16)) Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)| Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	385	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTR...				Bioorg Med Chem 27: 457-469 (2019) Article DOI: 10.1016/j.bmc.2018.11.020 BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573212 (US11453681, Compound C57) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2NC(=O)\C(=C/c3cc4ncccc4[nH]3)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50563730 (CHEMBL4750047 | US11453681, Compound C62) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2NC(=O)\C(=C/c3cc4ccccc4[nH]3)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573156 (US11453681, Compound C1) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(F)c(cc23)-c2cnc3OCCNc3c2C)c1C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573171 (US11453681, Compound C16) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2cnc3OCCNc3c2C)c1C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50563735 (CHEMBL4786511 | US11453681, Compound C17) Show SMILES Cc1ccc(\C=C2/C(=O)Nc3ccc(cc23)-c2cnc3OCCNc3c2C)[nH]1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573180 (US11453681, Compound C25) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3c2cc(cc3F)-c2cnc3OCCNc3c2C)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573181 (US11453681, Compound C26) Show SMILES Cc1c2NCCOc2ncc1-c1cc2\C(=C\c3ccc[nH]3)C(=O)Nc2c(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573183 (US11453681, Compound C28) Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2cnc3OCCNc3c2C)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573184 (US11453681, Compound C29) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573190 (US11453681, Compound C35) Show SMILES Cc1c2NCCOc2ncc1-c1cc2\C(=C\c3cnc([nH]3)C3CC3)C(=O)Nc2c(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50563731 (CHEMBL4799073 | US11453681, Compound C44) Show SMILES Cc1c2NCCOc2ncc1-c1cc2\C(=C\c3cc4ncccc4[nH]3)C(=O)Nc2cc1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM573201 (US11453681, Compound C46) Show SMILES Cc1c2NCCOc2ncc1-c1cc2\C(=C\c3cc4ncccc4[nH]3)C(=O)Nc2c(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50563732 (CHEMBL4776545 | US11453681, Compound C60) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2NC(=O)\C(=C/c3cc4cnccc4[nH]3)c2c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic pept...				Citation and Details BindingDB Entry DOI: 10.7270/Q2TF01KK
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452113 (US10710986, Example 252 | US11555029, No. 252) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452147 (US10710986, Example 286 | US11555029, No. 286) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452150 (US10710986, Example 289 | US11555029, No. 289) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452007 (US10710986, Example 147 | US11555029, No. 147) Show SMILES COc1nc(cnc1CN1CC(C)(O)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(O)C2)c(OC)n1 Show InChI InChI=1S/C32H34Cl2N6O4/c1-31(41)15-39(16-31)13-25-29(43-3)37-23(11-35-25)21-9-5-7-19(27(21)33)20-8-6-10-22(28(20)34)24-12-36-26(30(38-24)44-4)14-40-17-32(2,42)18-40/h5-12,41-42H,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452008 (US10710986, Example 148 | US11555029, No. 148) Show SMILES COc1nc(cnc1CN1CC(C)(CO)C1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(C)(CO)C2)c(OC)n1 Show InChI InChI=1S/C34H38Cl2N6O4/c1-33(19-43)15-41(16-33)13-27-31(45-3)39-25(11-37-27)23-9-5-7-21(29(23)35)22-8-6-10-24(30(22)36)26-12-38-28(32(40-26)46-4)14-42-17-34(2,18-42)20-44/h5-12,43-44H,13-20H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM451887 (US10710986, Example 26 | US11555029, No. 26) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCc2cnn(CCO)c2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N9O4/c1-49-34-29(16-38-13-21-14-42-46(20-21)11-12-47)40-18-27(44-34)25-7-3-5-23(32(25)36)24-6-4-8-26(33(24)37)28-19-41-30(35(45-28)50-2)17-39-15-22-9-10-31(48)43-22/h3-8,14,18-20,22,38-39,47H,9-13,15-17H2,1-2H3,(H,43,48)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452113 (US10710986, Example 252 | US11555029, No. 252) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC(F)(CO)C2)c(OC)n1 |r| Show InChI InChI=1S/C33H34Cl2FN7O4/c1-46-31-26(12-37-11-19-9-10-28(45)40-19)38-13-24(41-31)22-7-3-5-20(29(22)34)21-6-4-8-23(30(21)35)25-14-39-27(32(42-25)47-2)15-43-16-33(36,17-43)18-44/h3-8,13-14,19,37,44H,9-12,15-18H2,1-2H3,(H,40,45)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452147 (US10710986, Example 286 | US11555029, No. 286) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CNCC2(O)CCS(=O)(=O)C2)c(OC)n1 |r| Show InChI InChI=1S/C34H37Cl2N7O6S/c1-48-32-27(14-37-13-20-9-10-29(44)41-20)39-16-25(42-32)23-7-3-5-21(30(23)35)22-6-4-8-24(31(22)36)26-17-40-28(33(43-26)49-2)15-38-18-34(45)11-12-50(46,47)19-34/h3-8,16-17,20,37-38,45H,9-15,18-19H2,1-2H3,(H,41,44)/t20-,34?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452150 (US10710986, Example 289 | US11555029, No. 289) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc(CN2CC3(CC(O)C3)C2)c(OC)n1 |r| Show InChI InChI=1S/C35H37Cl2N7O4/c1-47-33-28(14-38-13-20-9-10-30(46)41-20)39-15-26(42-33)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-16-40-29(34(43-27)48-2)17-44-18-35(19-44)11-21(45)12-35/h3-8,15-16,20-21,38,45H,9-14,17-19H2,1-2H3,(H,41,46)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair

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