Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'zheng' and Initial = 'a'   

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
CREB-binding protein (Homo sapiens (Human))	BDBM50250892 (CHEMBL4061254 | US10696655, Example 63 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (docked)
CREB-binding protein (Homo sapiens (Human))	BDBM50250880 (CHEMBL4068116) Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r| Show InChI InChI=1S/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250911 (CHEMBL4095153 | US10696655, Example 45 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308854 (CHEMBL590235 | [7-(4-{1-Benzotriazol-1-yl-2-[4-(di...) Show SMILES COC(CC(C)C)c1ccc2ccc(-c3ccc(cc3)C(Cc3ccc(cc3)C(F)(F)P(O)(O)=O)(c3ccccc3)n3nnc4ccccc34)c(c2n1)P(O)(O)=O Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)25-38(55-3)36-24-18-30-17-23-34(40(39(30)45-36)56(49,50)51)29-15-21-32(22-16-29)41(31-9-5-4-6-10-31,48-37-12-8-7-11-35(37)46-47-48)26-28-13-19-33(20-14-28)42(43,44)57(52,53)54/h4-24,27,38H,25-26H2,1-3H3,(H2,49,50,51)(H2,52,53,54)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (docked)
CREB-binding protein (Homo sapiens (Human))	BDBM50250913 (CHEMBL4073812 | US10696655, Example 67 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250896 (CHEMBL4065346 | US10696655, Example 52 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50250909 (CHEMBL4076254 | US10696655, Example 113 | US111680...) Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559060 (CHEMBL4786787) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250910 (CHEMBL4072630 | US10696655, Example 18 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559059 (CHEMBL4752022) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50086955 (4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibrom...) Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H22Br2O6S2/c35-27-17-23(18-28(36)33(27)42-44(40,41)24-14-15-25(34(38)39)29(37)19-24)21-10-12-22(13-11-21)32-26-8-4-5-9-30(26)43-31(32)16-20-6-2-1-3-7-20/h1-15,17-19,37H,16H2,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308846 (CHEMBL592245 | N-{(S)-1-(1H-Benzoimidazol-2-yl)-2-...) Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1N1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H23N5O5S2/c1-16-13-17(11-12-22(16)29-15-23(30)28-36(29,33)34)14-21(24-25-19-9-5-6-10-20(19)26-24)27-35(31,32)18-7-3-2-4-8-18/h2-13,21,27H,14-15H2,1H3,(H,25,26)(H,28,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250898 (CHEMBL4059634 | US10696655, Example 27 | US1116807...) Show SMILES CNC(=O)c1ccc2nccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2c1 Show InChI InChI=1S/C25H23F2N5O/c1-28-25(33)16-5-6-21-20(11-16)22(7-8-29-21)32-9-3-4-15-10-18(17-13-30-31(2)14-17)19(24(26)27)12-23(15)32/h5-8,10-14,24H,3-4,9H2,1-2H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250907 (CHEMBL4095016 | US10696655, Example 19 | US1116807...) Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559062 (CHEMBL4795878) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559058 (CHEMBL4797395) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@H]4CCCN(C4)C(=O)CO)c3n2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250905 (CHEMBL4097991 | US10696655, Example 17 | US1116807...) Show SMILES CC(=O)N1CCc2c(C1)cc(N1CCCc3cc(-c4cnn(C)c4)c(cc13)C(F)F)c(=O)n2C Show InChI InChI=1S/C25H27F2N5O2/c1-15(33)31-8-6-21-17(14-31)10-23(25(34)30(21)3)32-7-4-5-16-9-19(18-12-28-29(2)13-18)20(24(26)27)11-22(16)32/h9-13,24H,4-8,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250891 (CHEMBL4064118 | US11168070, Example 81) Show SMILES C[C@H]1Nc2c(NC1=O)cccc2N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r| Show InChI InChI=1S/C23H23F2N5O/c1-13-23(31)28-18-6-3-7-19(21(18)27-13)30-8-4-5-14-9-16(15-11-26-29(2)12-15)17(22(24)25)10-20(14)30/h3,6-7,9-13,22,27H,4-5,8H2,1-2H3,(H,28,31)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250897 (CHEMBL4081585 | US10696655, Example 21 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4sc(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50250908 (CHEMBL4068063 | US10696655, Example 123 | US111680...) Show SMILES CNC(=O)Nc1cc(OC)cc(n1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C22H24F2N6O2/c1-25-22(31)28-19-8-15(32-3)9-20(27-19)30-6-4-5-13-7-16(14-11-26-29(2)12-14)17(21(23)24)10-18(13)30/h7-12,21H,4-6H2,1-3H3,(H2,25,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559063 (CHEMBL4780903) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@H]4CCN(C4)C(=O)OC(C)(C)C)c3n2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM55714 (3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...) Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC Show InChI InChI=1S/C21H18N2O6/c1-3-29-21(27)16-11-22-17-8-7-13(20(26)28-2)10-15(17)18(16)23-14-6-4-5-12(9-14)19(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50201800 (CHEMBL3901092) Show SMILES O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Show InChI InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
CREB-binding protein (Homo sapiens (Human))	BDBM50344571 (1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFO...) Show SMILES CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1 Show InChI InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50209683 ((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...) Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50151663 (CHEMBL3774655) Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250890 (CHEMBL4086422 | US10696655, Example 87 | US1116807...) Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250887 (CHEMBL4077375) Show SMILES CC(=O)N1CCc2c(C1)cc(-c1cccc(Cl)c1)c(=O)n2CC1CC1 Show InChI InChI=1S/C20H21ClN2O2/c1-13(24)22-8-7-19-16(12-22)10-18(15-3-2-4-17(21)9-15)20(25)23(19)11-14-5-6-14/h2-4,9-10,14H,5-8,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50559061 (CHEMBL4758107) Show SMILES CNC(=O)CN1CC[C@@H](C1)n1c(Nc2ccc(F)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	561	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250895 (CHEMBL4070185) Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250911 (CHEMBL4095153 | US10696655, Example 45 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250889 (CHEMBL4068984) Show SMILES CNC(=O)c1cnn2ccc(nc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C22H21F2N7O/c1-25-22(32)17-11-27-31-7-5-19(28-21(17)31)30-6-3-4-13-8-15(14-10-26-29(2)12-14)16(20(23)24)9-18(13)30/h5,7-12,20H,3-4,6H2,1-2H3,(H,25,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250892 (CHEMBL4061254 | US10696655, Example 63 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50250894 (CHEMBL4097164) Show SMILES CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc12 Show InChI InChI=1S/C19H21FN2O3S/c1-3-19(23)22-10-4-5-14-12-16(7-8-17(14)22)21-26(24,25)18-9-6-15(20)11-13(18)2/h6-9,11-12,21H,3-5,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250913 (CHEMBL4073812 | US10696655, Example 67 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250910 (CHEMBL4072630 | US10696655, Example 18 | US1116807...) Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250880 (CHEMBL4068116) Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r| Show InChI InChI=1S/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250888 (CHEMBL4094232) Show SMILES CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C)s3)ccc12 Show InChI InChI=1S/C15H16N2O3S2/c1-10-3-8-15(21-10)22(19,20)16-12-5-6-13-11(9-12)4-7-14(18)17(13)2/h3,5-6,8-9,16H,4,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250890 (CHEMBL4086422 | US10696655, Example 87 | US1116807...) Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250909 (CHEMBL4076254 | US10696655, Example 113 | US111680...) Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50201806 (CHEMBL3905288) Show SMILES Cc1cc(I)cc2C3C=CCC3C(Nc12)c1cccc(N)c1 |c:8| Show InChI InChI=1S/C19H19IN2/c1-11-8-13(20)10-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-14(21)9-12/h2-6,8-10,15-16,19,22H,7,21H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50308851 ((S)-2-(4-(2-acetamido-3-(4-(3-hydroxy-2-(methoxyca...) Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(O)c1)NC(C)=O |r| Show InChI InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Eur J Med Chem 122: 756-769 (2016) Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50178219 (CHEMBL3814752) Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250896 (CHEMBL4065346 | US10696655, Example 52 | US1116807...) Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50250895 (CHEMBL4070185) Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay				J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65
					More data for this Ligand-Target Pair

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