Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'custers' and Initial = 'h'   

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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14774 (3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...) Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50427452 (CHEMBL2326941) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380130 (CHEMBL2013230) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50310502 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyri...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380114 (CHEMBL2013216) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C(/C)c1ccccc1 Show InChI InChI=1S/C27H36N2O4/c1-20(21-10-7-6-8-11-21)13-16-29(17-14-23-12-9-15-28(23)2)27(30)22-18-24(31-3)26(33-5)25(19-22)32-4/h6-8,10-11,13,18-19,23H,9,12,14-17H2,1-5H3/b20-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380134 (CHEMBL2013215) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1 Show InChI InChI=1S/C27H36N2O4/c1-20(16-21-10-7-6-8-11-21)19-29(15-13-23-12-9-14-28(23)2)27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h6-8,10-11,16-18,23H,9,12-15,19H2,1-5H3/b20-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380131 (CHEMBL2013231) Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380121 (CHEMBL2013219) Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1 Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380123 (CHEMBL2013222) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F Show InChI InChI=1S/C27H34F2N2O4/c1-18(13-19-8-9-21(28)16-23(19)29)17-31(12-10-22-7-6-11-30(22)2)27(32)20-14-24(33-3)26(35-5)25(15-20)34-4/h8-9,13-16,22H,6-7,10-12,17H2,1-5H3/b18-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50453147 (CHEMBL4202704) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C#N |r,c:3,9| Show InChI InChI=1S/C29H31N3O2/c1-34-27-17-16-22(18-26(27)21-14-12-20(19-30)13-15-21)28-24-10-6-7-11-25(24)29(33)32(31-28)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11H2,1H3/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453158 (CHEMBL4210475) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(N)=O |r,c:3,9| Show InChI InChI=1S/C31H36N4O4/c1-39-27-17-16-22(18-26(27)20-12-14-21(15-13-20)30(37)33-19-28(32)36)29-24-10-6-7-11-25(24)31(38)35(34-29)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11,19H2,1H3,(H2,32,36)(H,33,37)/t24-,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399980 (CHEMBL2181467) Show SMILES NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H44N4O4/c41-25-13-12-22-35(39(47)42-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)43-40(48)36-26-32-20-10-11-21-33(32)28-44(36)38(46)24-23-37(45)31-18-8-3-9-19-31/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,47)(H,43,48)/t35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453158 (CHEMBL4210475) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(N)=O |r,c:3,9| Show InChI InChI=1S/C31H36N4O4/c1-39-27-17-16-22(18-26(27)20-12-14-21(15-13-20)30(37)33-19-28(32)36)29-24-10-6-7-11-25(24)31(38)35(34-29)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11,19H2,1H3,(H2,32,36)(H,33,37)/t24-,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399981 (CHEMBL2181450) Show SMILES CC1(C)[C@H]2C[C@@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |r,c:27| Show InChI InChI=1S/C25H31IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380125 (CHEMBL2013224) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1 Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-22(28)11-9-20)18-30(14-12-23-7-6-13-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h8-11,15-17,23H,6-7,12-14,18H2,1-5H3/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399983 (CHEMBL2181442) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1Br)=CC2 |r,c:27| Show InChI InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399982 (CHEMBL2181443) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)=CC2 |r,c:27| Show InChI InChI=1S/C25H31IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380126 (CHEMBL2013225) Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1 Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-7-10-22(27)11-8-20)18-29(15-13-23-6-5-14-28(23)2)26(30)21-9-12-24(31-3)25(17-21)32-4/h7-12,16-17,23H,5-6,13-15,18H2,1-4H3/b19-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380136 (CHEMBL2013226) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1 Show InChI InChI=1S/C27H35FN2O4/c1-19(14-20-8-6-9-22(28)15-20)18-30(13-11-23-10-7-12-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6,8-9,14-17,23H,7,10-13,18H2,1-5H3/b19-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380124 (CHEMBL2013223) Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F Show InChI InChI=1S/C26H32F2N2O3/c1-18(14-19-7-9-21(27)16-23(19)28)17-30(13-11-22-6-5-12-29(22)2)26(31)20-8-10-24(32-3)25(15-20)33-4/h7-10,14-16,22H,5-6,11-13,17H2,1-4H3/b18-14+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453161 (CHEMBL4204999) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(N)=O |r,c:3,9| Show InChI InChI=1S/C27H30N4O4/c1-16(2)31-27(34)21-7-5-4-6-20(21)25(30-31)19-12-13-23(35-3)22(14-19)17-8-10-18(11-9-17)26(33)29-15-24(28)32/h4-5,8-14,16,20-21H,6-7,15H2,1-3H3,(H2,28,32)(H,29,33)/t20-,21+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399985 (CHEMBL2181452) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1Cl)=CC2 |r,c:27| Show InChI InChI=1S/C25H31ClN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380127 (CHEMBL2013227) Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1 Show InChI InChI=1S/C26H33FN2O3/c1-19(15-20-7-5-8-22(27)16-20)18-29(14-12-23-9-6-13-28(23)2)26(30)21-10-11-24(31-3)25(17-21)32-4/h5,7-8,10-11,15-17,23H,6,9,12-14,18H2,1-4H3/b19-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399984 (CHEMBL2181446) Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)CC2 |r| Show InChI InChI=1S/C25H33IN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-12,20-21,23H,13-17H2,1-4H3/q+1/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453171 (CHEMBL4202975) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(N)=O |r,c:3,9| Show InChI InChI=1S/C29H33N3O3/c1-35-26-17-16-21(18-25(26)19-12-14-20(15-13-19)28(30)33)27-23-10-6-7-11-24(23)29(34)32(31-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11H2,1H3,(H2,30,33)/t23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50453171 (CHEMBL4202975) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(N)=O |r,c:3,9| Show InChI InChI=1S/C29H33N3O3/c1-35-26-17-16-21(18-25(26)19-12-14-20(15-13-19)28(30)33)27-23-10-6-7-11-24(23)29(34)32(31-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11H2,1H3,(H2,30,33)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399987 (CHEMBL2181464) Show SMILES Cc1ccccc1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:17| Show InChI InChI=1S/C26H34N/c1-19-8-6-7-9-24(19)21-12-10-20(11-13-21)17-27(4,5)18-22-14-15-23-16-25(22)26(23,2)3/h6-14,23,25H,15-18H2,1-5H3/q+1/t23-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399986 (CHEMBL2181441) Show SMILES COc1ccccc1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:18| Show InChI InChI=1S/C26H34NO/c1-26(2)22-15-14-21(24(26)16-22)18-27(3,4)17-19-10-12-20(13-11-19)23-8-6-7-9-25(23)28-5/h6-14,22,24H,15-18H2,1-5H3/q+1/t22-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399989 (CHEMBL2181444) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Br)c1)=CC2 |r,c:27| Show InChI InChI=1S/C25H31BrN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399988 (CHEMBL2181448) Show SMILES CC1(C)[C@@H]2C[C@H]1C=C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1I)C2 |r,t:7| Show InChI InChI=1S/C25H31IN/c1-25(2)21-13-19(14-22(25)15-21)17-27(3,4)16-18-9-11-20(12-10-18)23-7-5-6-8-24(23)26/h5-13,21-22H,14-17H2,1-4H3/q+1/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453180 (CHEMBL4208363) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CC[C@@H](O)C1 |r,c:3,9| Show InChI InChI=1S/C29H33N3O4/c1-18(2)32-29(35)24-7-5-4-6-23(24)27(30-32)21-12-13-26(36-3)25(16-21)19-8-10-20(11-9-19)28(34)31-15-14-22(33)17-31/h4-5,8-13,16,18,22-24,33H,6-7,14-15,17H2,1-3H3/t22-,23+,24-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399990 (CHEMBL2181463) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(c(Cl)c1)-c1ccccc1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)19-11-10-18(22(25)14-19)16-28(3,4)15-17-9-12-21(24(27)13-17)20-7-5-6-8-23(20)26/h5-10,12-13,19,22H,11,14-16H2,1-4H3/q+1/t19-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399991 (CHEMBL2181454) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(Cl)cc1)=CC2 |r,c:20| Show InChI InChI=1S/C19H27ClN/c1-19(2)16-8-7-15(18(19)11-16)13-21(3,4)12-14-5-9-17(20)10-6-14/h5-7,9-10,16,18H,8,11-13H2,1-4H3/q+1/t16-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380118 (CHEMBL2013214) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCCCC1C)C\C(C)=C\c1ccccc1 Show InChI InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453173 (CHEMBL4218658) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CC[C@@H](O)C1 |r,c:3,9| Show InChI InChI=1S/C33H39N3O4/c1-40-30-17-16-24(20-29(30)22-12-14-23(15-13-22)32(38)35-19-18-26(37)21-35)31-27-10-6-7-11-28(27)33(39)36(34-31)25-8-4-2-3-5-9-25/h6-7,12-17,20,25-28,37H,2-5,8-11,18-19,21H2,1H3/t26-,27+,28-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399992 (CHEMBL2181459) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-10-9-19(23(25)13-20)16-28(3,4)15-17-5-7-18(8-6-17)22-14-21(26)11-12-24(22)27/h5-9,11-12,14,20,23H,10,13,15-16H2,1-4H3/q+1/t20-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399993 (CHEMBL2181457) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)=CC2 |r,c:27| Show InChI InChI=1S/C25H31ClN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453170 (CHEMBL4214364) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCCOC |r,c:3,9| Show InChI InChI=1S/C32H39N3O4/c1-38-20-19-33-31(36)23-15-13-22(14-16-23)28-21-24(17-18-29(28)39-2)30-26-11-7-8-12-27(26)32(37)35(34-30)25-9-5-3-4-6-10-25/h7-8,13-18,21,25-27H,3-6,9-12,19-20H2,1-2H3,(H,33,36)/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399994 (CHEMBL2181449) Show SMILES CC1(C)[C@H]2C[C@@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1)=CC2 |r,c:27| Show InChI InChI=1S/C25H31ClN/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453175 (CHEMBL4204966) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)NCCO |r,c:3,9| Show InChI InChI=1S/C33H40N4O5/c1-42-29-17-16-24(20-28(29)22-12-14-23(15-13-22)32(40)35-21-30(39)34-18-19-38)31-26-10-6-7-11-27(26)33(41)37(36-31)25-8-4-2-3-5-9-25/h6-7,12-17,20,25-27,38H,2-5,8-11,18-19,21H2,1H3,(H,34,39)(H,35,40)/t26-,27+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase (Trypanosoma brucei)	BDBM50453176 (CHEMBL4217833) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)NC |r,c:3,9| Show InChI InChI=1S/C32H38N4O4/c1-33-29(37)20-34-31(38)22-15-13-21(14-16-22)27-19-23(17-18-28(27)40-2)30-25-11-7-8-12-26(25)32(39)36(35-30)24-9-5-3-4-6-10-24/h7-8,13-19,24-26H,3-6,9-12,20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453177 (CHEMBL4206114) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N(C)CC(N)=O |r,c:3,9| Show InChI InChI=1S/C32H38N4O4/c1-35(20-29(33)37)31(38)22-15-13-21(14-16-22)27-19-23(17-18-28(27)40-2)30-25-11-7-8-12-26(25)32(39)36(34-30)24-9-5-3-4-6-10-24/h7-8,13-19,24-26H,3-6,9-12,20H2,1-2H3,(H2,33,37)/t25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50380116 (CHEMBL2013212) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCCN1CCOCC1)C\C(C)=C\c1ccccc1 Show InChI InChI=1S/C27H36N2O5/c1-21(17-22-9-6-5-7-10-22)20-29(12-8-11-28-13-15-34-16-14-28)27(30)23-18-24(31-2)26(33-4)25(19-23)32-3/h5-7,9-10,17-19H,8,11-16,20H2,1-4H3/b21-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs				Eur J Med Chem 51: 184-92 (2012) Article DOI: 10.1016/j.ejmech.2012.02.041 BindingDB Entry DOI: 10.7270/Q2PZ59SD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399997 (CHEMBL2181456) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc-3c(Cc4ccccc-34)c1)=CC2 |r,c:28| Show InChI InChI=1S/C26H32N/c1-26(2)22-11-10-20(25(26)15-22)17-27(3,4)16-18-9-12-24-21(13-18)14-19-7-5-6-8-23(19)24/h5-10,12-13,22,25H,11,14-17H2,1-4H3/q+1/t22-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399996 (CHEMBL2181458) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(Cl)c1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(22(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)21-6-5-7-23(26)24(21)27/h5-12,20,22H,13-16H2,1-4H3/q+1/t20-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50399995 (CHEMBL2181460) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1c(Cl)cccc1Cl)=CC2 |r,c:28| Show InChI InChI=1S/C25H30Cl2N/c1-25(2)20-13-12-19(21(25)14-20)16-28(3,4)15-17-8-10-18(11-9-17)24-22(26)6-5-7-23(24)27/h5-12,20-21H,13-16H2,1-4H3/q+1/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453168 (CHEMBL4209331) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCCC(N)=O |r,c:3,9| Show InChI InChI=1S/C32H38N4O4/c1-40-28-17-16-23(20-27(28)21-12-14-22(15-13-21)31(38)34-19-18-29(33)37)30-25-10-6-7-11-26(25)32(39)36(35-30)24-8-4-2-3-5-9-24/h6-7,12-17,20,24-26H,2-5,8-11,18-19H2,1H3,(H2,33,37)(H,34,38)/t25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453147 (CHEMBL4202704) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C#N |r,c:3,9| Show InChI InChI=1S/C29H31N3O2/c1-34-27-17-16-22(18-26(27)21-14-12-20(19-30)13-15-21)28-24-10-6-7-11-25(24)29(33)32(31-28)23-8-4-2-3-5-9-23/h6-7,12-18,23-25H,2-5,8-11H2,1H3/t24-,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50453160 (CHEMBL4209841) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCC(=O)NCCOC |r,c:3,9| Show InChI InChI=1S/C34H42N4O5/c1-42-20-19-35-31(39)22-36-33(40)24-15-13-23(14-16-24)29-21-25(17-18-30(29)43-2)32-27-11-7-8-12-28(27)34(41)38(37-32)26-9-5-3-4-6-10-26/h7-8,13-18,21,26-28H,3-6,9-12,19-20,22H2,1-2H3,(H,35,39)(H,36,40)/t27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 124 total )  |  Next  |  Last  >>

Jump to: