Compile Data Set for Download or QSAR

Found 158 hits with Last Name = 'mani' and Initial = 'u'   

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 8 (Homo sapiens (Human))	BDBM50185909 (2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...) Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185912 (2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...) Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185908 (1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...) Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185910 (1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...) Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185906 (1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...) Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185904 ((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...) Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1 Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185902 (1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185905 (4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185915 (1-(4-chloro-phenyl)-cyclohexanecarboxylic acid {1-...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C32H37ClN2O3/c1-37-29-10-3-4-11-30(29)38-28-9-7-8-24(22-28)23-35-20-16-27(17-21-35)34-31(36)32(18-5-2-6-19-32)25-12-14-26(33)15-13-25/h3-4,7-15,22,27H,2,5-6,16-21,23H2,1H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185907 (CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185905 (4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in HEK293 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185911 (CHEMBL205692 | N-[1-(3-phenoxy-benzyl)-piperidin-4...) Show SMILES O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C26H28N2O2/c29-26(19-21-8-3-1-4-9-21)27-23-14-16-28(17-15-23)20-22-10-7-13-25(18-22)30-24-11-5-2-6-12-24/h1-13,18,23H,14-17,19-20H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185903 (1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...) Show SMILES CCOC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C21H25NO3/c1-2-24-21(23)18-11-13-22(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185916 (1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ...) Show SMILES CCNC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C21H26N2O2/c1-2-22-21(24)18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185913 (CHEMBL381354 | N-[1-(3-phenoxy-benzyl)-piperidin-4...) Show SMILES CCC(=O)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C21H26N2O2/c1-2-21(24)22-18-11-13-23(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185902 (1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-pipe...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in HEK293 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185909 (2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...) Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in HEK293 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50185906 (1-[3-(2-chlorophenoxy)benzyl]-4-{[(1-ethyl-4-pheny...) Show SMILES CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C33H38ClN3O4/c1-2-36-19-15-32(16-20-36,26-10-4-3-5-11-26)30(38)35-33(31(39)40)17-21-37(22-18-33)24-25-9-8-12-27(23-25)41-29-14-7-6-13-28(29)34/h3-14,23H,2,15-22,24H2,1H3,(H,35,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from hERG expressed in HEK293 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185914 (1-(3-phenoxybenzyl)piperidine-4-carboxylic acid | ...) Show SMILES OC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 Show InChI InChI=1S/C19H21NO3/c21-19(22)16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-8,13,16H,9-12,14H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185909 (2-(3-((1-(3-(2-chlorophenoxy)benzyl)piperidin-4-yl...) Show SMILES CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C33H38ClN3O4/c1-32(2,31(39)40)37-20-17-33(23-37,25-10-4-3-5-11-25)30(38)35-26-15-18-36(19-16-26)22-24-9-8-12-27(21-24)41-29-14-7-6-13-28(29)34/h3-14,21,26H,15-20,22-23H2,1-2H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132322 (({2-[(2-{4-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2...) Show SMILES CN(CCOP(O)(=O)CP(O)(O)=O)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C24H29N5O7P2/c1-28(11-12-36-38(34,35)16-37(31,32)33)10-9-17-5-7-19(8-6-17)29-14-21(18-3-2-4-20(30)13-18)22-23(25)26-15-27-24(22)29/h2-8,13-15,30H,9-12,16H2,1H3,(H,34,35)(H2,25,26,27)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185912 (2-(4-{1-[3-(2-chloro-phenoxy)-benzyl]-piperidin-4-...) Show SMILES CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O Show InChI InChI=1S/C34H40ClN3O4/c1-33(2,32(40)41)38-21-17-34(18-22-38,26-10-4-3-5-11-26)31(39)36-27-15-19-37(20-16-27)24-25-9-8-12-28(23-25)42-30-14-7-6-13-29(30)35/h3-14,23,27H,15-22,24H2,1-2H3,(H,36,39)(H,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM27216 ((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 (CDK2)				Bioorg Med Chem Lett 13: 3067-70 (2003) BindingDB Entry DOI: 10.7270/Q25B01V7
					More data for this Ligand-Target Pair				3D Structure (docked)
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97708 (US8476255, 96) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O3S/c1-17-7-11-19(12-8-17)21(16-18-9-13-20(29-2)14-10-18)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97707 (US8476255, 95) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2Cl)cc1 Show InChI InChI=1S/C22H25ClN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185905 (4-phenyl-piperidine-4-carboxylic acid {1-[3-(2-met...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1 Show InChI InChI=1S/C31H37N3O3/c1-36-28-12-5-6-13-29(28)37-27-11-7-8-24(22-27)23-34-20-14-26(15-21-34)33-30(35)31(16-18-32-19-17-31)25-9-3-2-4-10-25/h2-13,22,26,32H,14-21,23H2,1H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97695 (US8476255, 55) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2cccnc2)cc1 Show InChI InChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50221656 (CHEMBL3706663) Show SMILES Nc1ncnc2n(nc(-c3cccc(O)c3)c12)-c1cccc(c1)P(O)(=O)CC(O)=O Show InChI InChI=1S/C19H16N5O5P/c20-18-16-17(11-3-1-5-13(25)7-11)23-24(19(16)22-10-21-18)12-4-2-6-14(8-12)30(28,29)9-15(26)27/h1-8,10,25H,9H2,(H,26,27)(H,28,29)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185904 ((+/-) 3-phenyl-pyrrolidine-3-carboxylic acid {1-[3...) Show SMILES Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1 Show InChI InChI=1S/C29H32ClN3O2/c30-26-11-4-5-12-27(26)35-25-10-6-7-22(19-25)20-33-17-13-24(14-18-33)32-28(34)29(15-16-31-21-29)23-8-2-1-3-9-23/h1-12,19,24,31H,13-18,20-21H2,(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97703 (US8476255, 89) Show SMILES ONC(=O)CCCCCNC(=O)C(=C\c1c(F)cc(F)cc1F)\c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97698 (US8476255, 59) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C22H20N2O3S2/c1-28-19-8-4-15(5-9-19)12-20(18-10-11-29-14-18)22(26)23-13-16-2-6-17(7-3-16)21(25)24-27/h2-12,14,27H,13H2,1H3,(H,23,26)(H,24,25)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97685 (US8476255, 28) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-13-21(18-29(28)39-2)17-24(23-7-3-4-8-25(23)32)31(37)34-19-20-11-14-22(15-12-20)30(36)35-27-10-6-5-9-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132339 (3-[4-Amino-7-(4-{2-[(2-hydroxy-ethyl)-methyl-amino...) Show SMILES CN(CCO)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H25N5O2/c1-27(11-12-29)10-9-16-5-7-18(8-6-16)28-14-20(17-3-2-4-19(30)13-17)21-22(24)25-15-26-23(21)28/h2-8,13-15,29-30H,9-12H2,1H3,(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97697 (US8476255, 58) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C25H24N2O3S/c1-17-3-9-20(10-4-17)23(15-18-7-13-22(31-2)14-8-18)25(29)26-16-19-5-11-21(12-6-19)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97706 (US8476255, 94) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2F)cc1 Show InChI InChI=1S/C22H25FN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97704 (US8476255, 90) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C20H24N2O3S2/c1-26-17-8-6-15(7-9-17)13-18(16-10-12-27-14-16)20(24)21-11-4-2-3-5-19(23)22-25/h6-10,12-14,25H,2-5,11H2,1H3,(H,21,24)(H,22,23)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97694 (US8476255, 53) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FN2O4/c1-31-21-12-4-16(5-13-21)14-22(18-8-10-20(25)11-9-18)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132324 (3-{4-Amino-7-[4-(2-hydroxy-ethyl)-phenyl]-7H-pyrro...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCO)cc1 Show InChI InChI=1S/C20H18N4O2/c21-19-18-17(14-2-1-3-16(26)10-14)11-24(20(18)23-12-22-19)15-6-4-13(5-7-15)8-9-25/h1-7,10-12,25-26H,8-9H2,(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50451556 (CHEMBL3084838) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)P(O)(=O)CP(O)(O)=O)c2ncn(C3CCCC3)c2n1 |wU:1.0,wD:4.7,(20.04,-12.53,;18.7,-11.76,;17.37,-12.53,;16.03,-11.76,;16.03,-10.22,;17.37,-9.45,;18.7,-10.22,;14.7,-9.45,;13.37,-10.22,;13.37,-11.76,;12.03,-12.53,;12.03,-14.07,;10.7,-14.84,;10.7,-16.38,;9.37,-17.15,;8.03,-16.38,;8.03,-14.84,;9.37,-14.07,;6.7,-17.15,;5.93,-15.82,;7.47,-18.48,;5.37,-17.92,;4.03,-17.15,;3.26,-18.48,;4.8,-15.82,;2.7,-16.38,;10.7,-11.76,;9.24,-12.24,;8.33,-10.99,;9.24,-9.74,;8.76,-8.28,;7.3,-7.8,;7.3,-6.26,;8.76,-5.79,;9.66,-7.03,;10.7,-10.22,;12.03,-9.45,)| Show InChI InChI=1S/C23H33N7O5P2/c24-15-5-7-17(8-6-15)27-23-28-21(20-22(29-23)30(13-25-20)18-3-1-2-4-18)26-16-9-11-19(12-10-16)36(31,32)14-37(33,34)35/h9-13,15,17-18H,1-8,14,24H2,(H,31,32)(H2,33,34,35)(H2,26,27,28,29)/t15-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay				Bioorg Med Chem Lett 13: 3067-70 (2003) BindingDB Entry DOI: 10.7270/Q25B01V7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97680 (US8476255, 19) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-9-21(18-29(28)39-2)17-25(22-12-14-24(32)15-13-22)31(37)34-19-20-7-10-23(11-8-20)30(36)35-27-6-4-3-5-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185910 (1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...) Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C32H38ClN3O2/c1-2-35-21-17-32(18-22-35,26-10-4-3-5-11-26)31(37)34-27-15-19-36(20-16-27)24-25-9-8-12-28(23-25)38-30-14-7-6-13-29(30)33/h3-14,23,27H,2,15-22,24H2,1H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97700 (US8476255, 77) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C27H25FN2O5/c1-34-24-13-7-20(16-25(24)35-2)15-23(21-9-11-22(28)12-10-21)27(32)29-17-19-5-3-18(4-6-19)8-14-26(31)30-33/h3-16,33H,17H2,1-2H3,(H,29,32)(H,30,31)/b14-8+,23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97684 (US8476255, 27) Show SMILES COc1ccc(cc1)C(=C/c1ccc(OC)c(OC)c1)\C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H31N3O5/c1-38-25-15-13-23(14-16-25)26(18-22-10-17-29(39-2)30(19-22)40-3)32(37)34-20-21-8-11-24(12-9-21)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97688 (US8476255, 32) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(F)c2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-15-12-21(17-29(28)39-2)16-25(23-6-5-7-24(32)18-23)31(37)34-19-20-10-13-22(14-11-20)30(36)35-27-9-4-3-8-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97687 (US8476255, 31) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2)cc1OC Show InChI InChI=1S/C31H29N3O4/c1-37-28-17-14-22(19-29(28)38-2)18-25(23-8-4-3-5-9-23)31(36)33-20-21-12-15-24(16-13-21)30(35)34-27-11-7-6-10-26(27)32/h3-19H,20,32H2,1-2H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185907 (CHEMBL210322 | N-{1-[3-(2-methoxy-phenoxy)-benzyl]...) Show SMILES COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C27H30N2O3/c1-31-25-12-5-6-13-26(25)32-24-11-7-10-22(18-24)20-29-16-14-23(15-17-29)28-27(30)19-21-8-3-2-4-9-21/h2-13,18,23H,14-17,19-20H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50185908 (1-ethyl-4-phenyl-piperidine-4-carboxylic acid {1-[...) Show SMILES CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1 Show InChI InChI=1S/C33H41N3O3/c1-3-35-22-18-33(19-23-35,27-11-5-4-6-12-27)32(37)34-28-16-20-36(21-17-28)25-26-10-9-13-29(24-26)39-31-15-8-7-14-30(31)38-2/h4-15,24,28H,3,16-23,25H2,1-2H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8				J Med Chem 49: 2669-72 (2006) Article DOI: 10.1021/jm050965z BindingDB Entry DOI: 10.7270/Q2GH9HJX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97686 (US8476255, 29) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(C)cc2)cc1OC Show InChI InChI=1S/C32H31N3O4/c1-21-8-13-24(14-9-21)26(18-23-12-17-29(38-2)30(19-23)39-3)32(37)34-20-22-10-15-25(16-11-22)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132334 (CHEMBL104215 | [(2-{4-[4-Amino-5-(3-hydroxy-phenyl...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(CCOP(O)(=O)CP(O)(O)=O)cc1 Show InChI InChI=1S/C21H22N4O7P2/c22-20-19-18(15-2-1-3-17(26)10-15)11-25(21(19)24-12-23-20)16-6-4-14(5-7-16)8-9-32-34(30,31)13-33(27,28)29/h1-7,10-12,26H,8-9,13H2,(H,30,31)(H2,22,23,24)(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97699 (BOC-LYS(AC)-AMC | US8476255, 76) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H23FN2O3S/c1-33-23-13-6-19(7-14-23)16-24(21-9-11-22(27)12-10-21)26(31)28-17-20-4-2-18(3-5-20)8-15-25(30)29-32/h2-16,32H,17H2,1H3,(H,28,31)(H,29,30)/b15-8+,24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair

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