Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'shukla' and Initial = 'l'   

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
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500893 (CHEMBL3797662) Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(CC3CCCN3)C2)CC1 Show InChI InChI=1S/C25H34Cl2N6/c1-31(16-19-4-5-20(26)15-22(19)27)23-6-11-29-24(30-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500901 (CHEMBL3799266) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500908 (CHEMBL3797537) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCCN4)C3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H34Cl2N6/c26-20-5-4-19(22(27)15-20)16-30-23-6-11-29-24(31-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-18H2,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50175665 ((R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)...) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C21H26Cl2N6O/c22-16-5-4-15(17(23)13-16)14-26-19-6-8-25-21(27-19)29-11-9-28(10-12-29)20(30)18-3-1-2-7-24-18/h4-6,8,13,18,24H,1-3,7,9-12,14H2,(H,25,26,27)/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500894 (CHEMBL3799578) Show SMILES Fc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(F)c1 Show InChI InChI=1S/C24H32F2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50380884 (CHEMBL2018954) Show SMILES COc1ccc(COc2nc(Br)cnc2NS(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C Show InChI InChI=1S/C23H27BrN4O5S/c1-16-5-8-18(9-6-16)34(29,30)27-22-23(26-21(24)14-25-22)33-15-17-7-10-19(31-4)20(13-17)32-12-11-28(2)3/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500902 (CHEMBL3798452) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C[C@@H]4CCCN4)C3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500896 (CHEMBL3799393) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C[C@H]4CCCN4)C3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500910 (CHEMBL3799025) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@H]3CCCN3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500898 (CHEMBL3797567) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@@H]3CCCCN3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500909 (CHEMBL3799514) Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(C2)C(=O)C2CCCN2)CC1 Show InChI InChI=1S/C25H32Cl2N6O/c1-31(16-18-4-5-19(26)15-20(18)27)22-6-11-29-24(30-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-17H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500906 (CHEMBL3798263) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCN3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500907 (CHEMBL3797980) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@H]3CCCCN3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500903 (CHEMBL3799865) Show SMILES Fc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCN3)CC2)c(F)c1 Show InChI InChI=1S/C24H30F2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500900 (CHEMBL3798949) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCNC3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H32Cl2N6O/c26-20-4-3-18(21(27)14-20)16-30-22-5-10-29-24(31-22)32-11-6-25(7-12-32)8-13-33(17-25)23(34)19-2-1-9-28-15-19/h3-5,10,14,19,28H,1-2,6-9,11-13,15-17H2,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500899 (CHEMBL3798941) Show SMILES OC(=O)C(F)(F)F.Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCNC3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H30Cl2N6O.C2HF3O2/c25-19-2-1-17(20(26)13-19)15-29-21-4-9-28-23(30-21)31-10-5-24(6-11-31)7-12-32(16-24)22(33)18-3-8-27-14-18;3-2(4,5)1(6)7/h1-2,4,9,13,18,27H,3,5-8,10-12,14-16H2,(H,28,29,30);(H,6,7)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500905 (CHEMBL3798539) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)c3ccccn3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H26Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h1-6,10-11,15H,7-9,12-14,16-17H2,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500897 (CHEMBL3799904) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@@H]3CCCN3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500912 (CHEMBL3797946) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCC(=O)N1CCC2(C1)CCN(CC2)c1nccc(NCc2ccc(Cl)cc2Cl)n1 Show InChI InChI=1S/C22H28Cl2N6O/c1-25-14-20(31)30-11-7-22(15-30)5-9-29(10-6-22)21-26-8-4-19(28-21)27-13-16-2-3-17(23)12-18(16)24/h2-4,8,12,25H,5-7,9-11,13-15H2,1H3,(H,26,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500904 (CHEMBL3797678) Show SMILES Cl.Cl.Clc1ccc(CNc2ccnc(n2)N2CCC3(CCNC3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H23Cl2N5/c20-15-2-1-14(16(21)11-15)12-24-17-3-7-23-18(25-17)26-9-5-19(6-10-26)4-8-22-13-19/h1-3,7,11,22H,4-6,8-10,12-13H2,(H,23,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500911 (CHEMBL3797555) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)C3CCCCC3)CC2)c(Cl)c1 Show InChI InChI=1S/C26H33Cl2N5O/c27-21-7-6-20(22(28)16-21)17-30-23-8-12-29-25(31-23)32-13-9-26(10-14-32)11-15-33(18-26)24(34)19-4-2-1-3-5-19/h6-8,12,16,19H,1-5,9-11,13-15,17-18H2,(H,29,30,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547191 (CHEMBL4746468) Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(F)cc12)C(N)=O)N1CCNCC1 |(22.35,-9.28,;22.36,-10.82,;21.04,-11.61,;23.7,-11.58,;25.03,-10.8,;25.01,-9.26,;26.34,-8.47,;27.68,-9.23,;27.7,-10.77,;26.36,-11.55,;26.37,-13.09,;27.28,-14.35,;26.37,-15.6,;24.9,-15.12,;23.57,-15.89,;22.23,-15.12,;20.9,-15.89,;22.24,-13.58,;20.9,-12.81,;23.56,-12.81,;24.9,-13.57,;28.82,-14.35,;29.59,-13.01,;29.59,-15.68,;26.32,-6.93,;27.66,-6.14,;27.64,-4.6,;26.31,-3.84,;24.98,-4.62,;24.99,-6.17,)| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547190 (CHEMBL4762949) Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O)N1CCNCC1 |(7.01,-9.22,;7.03,-10.76,;5.7,-11.54,;8.37,-11.52,;9.69,-10.73,;9.67,-9.19,;11,-8.4,;12.35,-9.16,;12.36,-10.7,;11.02,-11.49,;11.04,-13.03,;11.95,-14.28,;11.04,-15.54,;9.56,-15.06,;8.23,-15.83,;6.9,-15.06,;5.56,-15.83,;6.9,-13.52,;5.57,-12.75,;8.23,-12.75,;9.56,-13.51,;13.49,-14.28,;14.26,-12.95,;14.26,-15.62,;10.99,-6.86,;12.32,-6.07,;12.31,-4.54,;10.97,-3.78,;9.64,-4.56,;9.65,-6.11,)| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547180 (CHEMBL4796852) Show SMILES CC(C)Oc1ccccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O |(52.36,-5.21,;52.38,-6.75,;51.05,-7.53,;53.72,-7.51,;55.04,-6.72,;55.02,-5.18,;56.35,-4.39,;57.7,-5.15,;57.71,-6.69,;56.37,-7.48,;56.39,-9.02,;57.3,-10.27,;56.39,-11.53,;54.91,-11.05,;53.58,-11.82,;52.25,-11.05,;50.91,-11.82,;52.25,-9.51,;50.92,-8.74,;53.58,-8.74,;54.91,-9.5,;58.84,-10.27,;59.61,-8.94,;59.61,-11.61,)| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547179 (CHEMBL4743507) Show SMILES COc1ccccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O |(34.17,-6.06,;35.51,-6.82,;36.83,-6.03,;36.81,-4.5,;38.14,-3.71,;39.48,-4.46,;39.5,-6,;38.16,-6.79,;38.17,-8.33,;39.08,-9.58,;38.17,-10.84,;36.7,-10.36,;35.37,-11.13,;34.04,-10.36,;32.71,-11.13,;34.04,-8.82,;32.71,-8.05,;35.37,-8.05,;36.7,-8.81,;40.62,-9.58,;41.39,-8.25,;41.39,-10.91,)| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50175665 ((R)-(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)...) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)[C@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C21H26Cl2N6O/c22-16-5-4-15(17(23)13-16)14-26-19-6-8-25-21(27-19)29-11-9-28(10-12-29)20(30)18-3-1-2-7-24-18/h4-6,8,13,18,24H,1-3,7,9-12,14H2,(H,25,26,27)/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500893 (CHEMBL3797662) Show SMILES CN(Cc1ccc(Cl)cc1Cl)c1ccnc(n1)N1CCC2(CCN(CC3CCCN3)C2)CC1 Show InChI InChI=1S/C25H34Cl2N6/c1-31(16-19-4-5-20(26)15-22(19)27)23-6-11-29-24(30-23)33-13-8-25(9-14-33)7-12-32(18-25)17-21-3-2-10-28-21/h4-6,11,15,21,28H,2-3,7-10,12-14,16-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500894 (CHEMBL3799578) Show SMILES Fc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(F)c1 Show InChI InChI=1S/C24H32F2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50500901 (CHEMBL3799266) Show SMILES Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(CC4CCCN4)C3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H32Cl2N6/c25-19-4-3-18(21(26)14-19)15-29-22-5-10-28-23(30-22)32-12-7-24(8-13-32)6-11-31(17-24)16-20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-17H2,(H,28,29,30)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay				Eur J Med Chem 115: 14-25 (2016) Article DOI: 10.1016/j.ejmech.2016.02.058 BindingDB Entry DOI: 10.7270/Q24J0J4S
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437812 (CHEMBL2407723) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437821 (CHEMBL2407736) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(c(O)[nH]2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N5O2/c24-18-8-4-5-9-19(18)26-21(29)17-12-10-15(11-13-17)14-25-23-27-20(22(30)28-23)16-6-2-1-3-7-16/h1-13,30H,14,24H2,(H,26,29)(H2,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437816 (CHEMBL2407719) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccc(O)cc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4O2S/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437813 (CHEMBL2407722) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2NC[C@H](S2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547178 (CHEMBL4800438) Show SMILES CC(C)Oc1ccccc1-c1c([nH]c2ccc(Cl)cc12)C(N)=O |(18.66,-6.9,;19.98,-6.12,;19.97,-4.58,;21.32,-6.88,;22.65,-6.09,;22.63,-4.55,;23.96,-3.76,;25.3,-4.52,;25.32,-6.06,;23.98,-6.85,;23.99,-8.39,;24.9,-9.64,;23.99,-10.9,;22.52,-10.42,;21.19,-11.19,;19.85,-10.42,;19.86,-8.88,;18.52,-8.11,;21.18,-8.11,;22.52,-8.87,;26.44,-9.64,;27.21,-8.31,;27.21,-10.98,)| Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547187 (CHEMBL4791887) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1c([nH]c2ccc(Cl)cc12)C(N)=O Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437822 (CHEMBL2407735) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nc(O)c(Cc3ccccc3)[nH]2)cc1 Show InChI InChI=1S/C24H23N5O2/c25-19-8-4-5-9-20(19)27-22(30)18-12-10-17(11-13-18)15-26-24-28-21(23(31)29-24)14-16-6-2-1-3-7-16/h1-13,31H,14-15,25H2,(H,27,30)(H2,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437827 (CHEMBL2407730) Show SMILES ONC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C17H15N5O2/c23-16(22-24)13-5-3-12(4-6-13)10-20-17-19-9-7-15(21-17)14-2-1-8-18-11-14/h1-9,11,24H,10H2,(H,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437814 (CHEMBL2407721) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437826 (CHEMBL2407731) Show SMILES CC(C)(C)OC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H32N6O4/c1-31(2,3)41-30(40)37-26(16-21-18-33-24-10-6-4-8-22(21)24)28(39)36-29(37)34-17-19-12-14-20(15-13-19)27(38)35-25-11-7-5-9-23(25)32/h4-15,18,33,39H,16-17,32H2,1-3H3,(H,34,36)(H,35,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Mus musculus (Mouse))	BDBM50547191 (CHEMBL4746468) Show SMILES CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(F)cc12)C(N)=O)N1CCNCC1 |(22.35,-9.28,;22.36,-10.82,;21.04,-11.61,;23.7,-11.58,;25.03,-10.8,;25.01,-9.26,;26.34,-8.47,;27.68,-9.23,;27.7,-10.77,;26.36,-11.55,;26.37,-13.09,;27.28,-14.35,;26.37,-15.6,;24.9,-15.12,;23.57,-15.89,;22.23,-15.12,;20.9,-15.89,;22.24,-13.58,;20.9,-12.81,;23.56,-12.81,;24.9,-13.57,;28.82,-14.35,;29.59,-13.01,;29.59,-15.68,;26.32,-6.93,;27.66,-6.14,;27.64,-4.6,;26.31,-3.84,;24.98,-4.62,;24.99,-6.17,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 in mouse B cells assessed as reduction in IgG secretion				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547186 (CHEMBL4756420) Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(cc1)N1CCOCC1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437815 (CHEMBL2407720) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](Cc3ccccc3)CS2)cc1 |r,w:15.15| Show InChI InChI=1S/C24H24N4OS/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437818 (CHEMBL2407716) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CS2)c2ccccc2)cc1 |r,t:17| Show InChI InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50547173 (CHEMBL4751717) Show SMILES NC(=O)c1[nH]c2cc(F)c(Cl)cc2c1-c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MetAP2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127533 BindingDB Entry DOI: 10.7270/Q2N58QZH
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437825 (CHEMBL2407732) Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H26N6O3/c1-17(35)34-25(14-20-16-30-23-8-4-2-6-21(20)23)27(37)33-28(34)31-15-18-10-12-19(13-11-18)26(36)32-24-9-5-3-7-22(24)29/h2-13,16,30,37H,14-15,29H2,1H3,(H,31,33)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437817 (CHEMBL2407718) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50437809 (CHEMBL2407717) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN=C2N[C@H](CS2)c2ccccc2)cc1 |r,w:15.15| Show InChI InChI=1S/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair
Nuclear receptor corepressor 1 (Homo sapiens (Human))	BDBM50437823 (CHEMBL2407734) Show SMILES CC(=O)n1c(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(O)c1Cc1ccccc1 Show InChI InChI=1S/C26H25N5O3/c1-17(32)31-23(15-18-7-3-2-4-8-18)25(34)30-26(31)28-16-19-11-13-20(14-12-19)24(33)29-22-10-6-5-9-21(22)27/h2-14,34H,15-16,27H2,1H3,(H,28,30)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins ...				J Med Chem 56: 6156-74 (2013) Article DOI: 10.1021/jm400634n BindingDB Entry DOI: 10.7270/Q2N87C65
					More data for this Ligand-Target Pair

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