Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'adlere' and Initial = 'i'   

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-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28| Show InChI InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28| Show InChI InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28| Show InChI InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-i...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247128 ((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...) Show SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28| Show InChI InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibiti...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182282 (CHEMBL3818905) Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C16H20ClN7O2.C2HF3O2/c1-2-26-10-5-3-9(4-6-10)7-8-21-14-12(17)22-11(13(18)23-14)15(25)24-16(19)20;3-2(4,5)1(6)7/h3-6H,2,7-8H2,1H3,(H3,18,21,23)(H4,19,20,24,25);(H,6,7)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182281 (CHEMBL3818205) Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1nc(Cl)c(-[#7]-[#6]-[#6]-c2ccc3-[#8]-[#6]-[#8]-c3c2)nc1-[#7] Show InChI InChI=1S/C15H16ClN7O3.ClH/c16-11-13(22-12(17)10(21-11)14(24)23-15(18)19)20-4-3-7-1-2-8-9(5-7)26-6-25-8;/h1-2,5H,3-4,6H2,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia 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
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182283 (CHEMBL3819313) Show SMILES Cl.[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-8(3-5-9)6-7-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-5H,6-7H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521156 (CHEMBL4452433) Show SMILES Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521159 (CHEMBL4533528) Show SMILES Clc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 Show InChI InChI=1S/C20H24Cl2N2/c21-19-7-3-1-5-17(19)14-23-13-16-9-11-24(12-10-16)15-18-6-2-4-8-20(18)22/h1-8,16,23H,9-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50035696 (1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...) Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1 Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM50182284 (CHEMBL3818888) Show SMILES Cl.[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])c1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-3-8(7-9)5-6-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-4,7H,5-6H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521148 (CHEMBL4444949) Show SMILES Cc1ccccc1CNCC1CCN(Cc2ccccc2Cl)CC1 Show InChI InChI=1S/C21H27ClN2/c1-17-6-2-3-7-19(17)15-23-14-18-10-12-24(13-11-18)16-20-8-4-5-9-21(20)22/h2-9,18,23H,10-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521164 (CHEMBL4558842) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C21H25ClN2O2/c22-19-4-2-1-3-18(19)14-24-9-7-16(8-10-24)12-23-13-17-5-6-20-21(11-17)26-15-25-20/h1-6,11,16,23H,7-10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521158 (CHEMBL4463564) Show SMILES Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 Show InChI InChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-20(22)6-3-7-21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
Adenosine receptor A2a/A2b (Homo sapiens (Human))	BDBM81818 (CAS_1794 | CHEMBL1909810 | HMA | NSC_1794) Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1 Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microb...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521144 (CHEMBL4514484) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521143 (CHEMBL4557428) Show SMILES Oc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C20H25ClN2O/c21-20-4-2-1-3-18(20)15-23-11-9-17(10-12-23)14-22-13-16-5-7-19(24)8-6-16/h1-8,17,22,24H,9-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521160 (CHEMBL4585865) Show SMILES OC(=O)\C=C\C(O)=O.Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C20H24Cl2N2/c21-19-6-3-4-17(12-19)14-23-13-16-8-10-24(11-9-16)15-18-5-1-2-7-20(18)22/h1-7,12,16,23H,8-11,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521142 (CHEMBL4438964) Show SMILES OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521161 (CHEMBL4438705) Show SMILES OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H27ClN2/c25-24-8-4-3-7-23(24)18-27-13-11-19(12-14-27)16-26-17-20-9-10-21-5-1-2-6-22(21)15-20/h1-10,15,19,26H,11-14,16-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521142 (CHEMBL4438964) Show SMILES OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521168 (CHEMBL4445831) Show SMILES Clc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C20H24Cl2N2/c21-19-7-5-16(6-8-19)13-23-14-17-9-11-24(12-10-17)15-18-3-1-2-4-20(18)22/h1-8,17,23H,9-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521144 (CHEMBL4514484) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521145 (CHEMBL4548557) Show SMILES Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3Cl)CC2)c1 Show InChI InChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-6-3-7-20(22)21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521162 (CHEMBL4440964) Show SMILES CCc1cccc(CNCC2CCN(Cc3ccccc3OC)CC2)c1 Show InChI InChI=1S/C23H32N2O/c1-3-19-7-6-8-21(15-19)17-24-16-20-11-13-25(14-12-20)18-22-9-4-5-10-23(22)26-2/h4-10,15,20,24H,3,11-14,16-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521166 (CHEMBL4539571) Show SMILES COc1ccccc1CN1CCC(CNCc2cccc(C)c2)CC1 Show InChI InChI=1S/C22H30N2O/c1-18-6-5-7-20(14-18)16-23-15-19-10-12-24(13-11-19)17-21-8-3-4-9-22(21)25-2/h3-9,14,19,23H,10-13,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521149 (CHEMBL4529593) Show SMILES Cc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C21H27ClN2/c1-17-6-8-18(9-7-17)14-23-15-19-10-12-24(13-11-19)16-20-4-2-3-5-21(20)22/h2-9,19,23H,10-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521156 (CHEMBL4452433) Show SMILES Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521156 (CHEMBL4452433) Show SMILES Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-i...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521165 (CHEMBL4561387) Show SMILES Clc1ccccc1CN1CCC(CNCc2c[nH]cn2)CC1 Show InChI InChI=1S/C17H23ClN4/c18-17-4-2-1-3-15(17)12-22-7-5-14(6-8-22)9-19-10-16-11-20-13-21-16/h1-4,11,13-14,19H,5-10,12H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521150 (CHEMBL4463569) Show SMILES COc1ccc(CNCC2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C21H27ClN2O/c1-25-20-8-6-17(7-9-20)14-23-15-18-10-12-24(13-11-18)16-19-4-2-3-5-21(19)22/h2-9,18,23H,10-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521142 (CHEMBL4438964) Show SMILES OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-i...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521151 (CHEMBL4526858) Show SMILES Clc1ccccc1CN1CCC(CNCc2cccnc2)CC1 Show InChI InChI=1S/C19H24ClN3/c20-19-6-2-1-5-18(19)15-23-10-7-16(8-11-23)12-22-14-17-4-3-9-21-13-17/h1-6,9,13,16,22H,7-8,10-12,14-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521144 (CHEMBL4514484) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-i...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521147 (CHEMBL4585203) Show SMILES Cc1cccc(CNCC2CCN(Cc3cccc(Cl)c3)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-4-2-5-19(12-17)15-23-14-18-8-10-24(11-9-18)16-20-6-3-7-21(22)13-20/h2-7,12-13,18,23H,8-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521152 (CHEMBL4465129) Show SMILES COc1ccccc1CN1CCC(CNCc2ccccc2)CC1 Show InChI InChI=1S/C21H28N2O/c1-24-21-10-6-5-9-20(21)17-23-13-11-19(12-14-23)16-22-15-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521142 (CHEMBL4438964) Show SMILES OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibiti...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521171 (CHEMBL4450496) Show SMILES Clc1ccccc1CN1CCC(CNCc2cccc(Cl)c2Cl)CC1 Show InChI InChI=1S/C20H23Cl3N2/c21-18-6-2-1-4-17(18)14-25-10-8-15(9-11-25)12-24-13-16-5-3-7-19(22)20(16)23/h1-7,15,24H,8-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521170 (CHEMBL4566356) Show SMILES Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1 Show InChI InChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521156 (CHEMBL4452433) Show SMILES Cc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-5-4-6-19(13-17)15-23-14-18-9-11-24(12-10-18)16-20-7-2-3-8-21(20)22/h2-8,13,18,23H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibiti...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50182282 (CHEMBL3818905) Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C16H20ClN7O2.C2HF3O2/c1-2-26-10-5-3-9(4-6-10)7-8-21-14-12(17)22-11(13(18)23-14)15(25)24-16(19)20;3-2(4,5)1(6)7/h3-6H,2,7-8H2,1H3,(H3,18,21,23)(H4,19,20,24,25);(H,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521144 (CHEMBL4514484) Show SMILES Clc1ccccc1CN1CCC(CNCc2ccccc2)CC1 Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibiti...				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50182283 (CHEMBL3819313) Show SMILES Cl.[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-8(3-5-9)6-7-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-5H,6-7H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM81818 (CAS_1794 | CHEMBL1909810 | HMA | NSC_1794) Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1 Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50182281 (CHEMBL3818205) Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](=O)-c1nc(Cl)c(-[#7]-[#6]-[#6]-c2ccc3-[#8]-[#6]-[#8]-c3c2)nc1-[#7] Show InChI InChI=1S/C15H16ClN7O3.ClH/c16-11-13(22-12(17)10(21-11)14(24)23-15(18)19)20-4-3-7-1-2-8-9(5-7)26-6-25-8;/h1-2,5H,3-4,6H2,(H3,17,20,22)(H4,18,19,23,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50182284 (CHEMBL3818888) Show SMILES Cl.[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-c2nc(-[#7])c(nc2Cl)-[#6](=O)\[#7]=[#6](\[#7])-[#7])c1 Show InChI InChI=1S/C15H18ClN7O2.ClH/c1-25-9-4-2-3-8(7-9)5-6-20-13-11(16)21-10(12(17)22-13)14(24)23-15(18)19;/h2-4,7H,5-6H2,1H3,(H3,17,20,22)(H4,18,19,23,24);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation ...				J Med Chem 59: 4769-77 (2016) Article DOI: 10.1021/acs.jmedchem.6b00142 BindingDB Entry DOI: 10.7270/Q2BC41GQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521155 (CHEMBL4461446) Show SMILES Cc1ccccc1CN1CCC(CN)CC1 Show InChI InChI=1S/C14H22N2/c1-12-4-2-3-5-14(12)11-16-8-6-13(10-15)7-9-16/h2-5,13H,6-11,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521154 (CHEMBL4443602) Show SMILES NCCC1CCN(Cc2ccccc2Cl)CC1 Show InChI InChI=1S/C14H21ClN2/c15-14-4-2-1-3-13(14)11-17-9-6-12(5-8-16)7-10-17/h1-4,12H,5-11,16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521153 (CHEMBL4463684) Show SMILES C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H26N2/c1-3-7-18(8-4-1)15-21-16-19-11-13-22(14-12-19)17-20-9-5-2-6-10-20/h1-10,19,21H,11-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50521146 (CHEMBL4460308) Show SMILES Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 Show InChI InChI=1S/C21H27ClN2/c1-17-3-2-4-20(13-17)15-23-14-18-9-11-24(12-10-18)16-19-5-7-21(22)8-6-19/h2-8,13,18,23H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Griffin Discoveries BV Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				Eur J Med Chem 162: 631-649 (2019) Article DOI: 10.1016/j.ejmech.2018.10.060 BindingDB Entry DOI: 10.7270/Q2VD72V6
					More data for this Ligand-Target Pair

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