Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 7'   

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 7 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50306033 (Cenicriviroc | TAK-652 | TBR-652) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCC\C(=C/c2c1)C(=O)Nc1ccc(cc1)[S@@+]([O-])Cc1cncn1CCC |r,c:27| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463591 (CHEMBL4248604) Show SMILES NC(=O)c1cc(ccn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.47,-12.84,;21.14,-12.07,;21.13,-10.53,;19.81,-12.84,;18.47,-12.08,;17.15,-12.85,;17.14,-14.39,;18.47,-15.16,;19.81,-14.39,;15.82,-12.08,;14.48,-12.85,;13.15,-12.07,;13.16,-10.53,;14.49,-9.76,;15.82,-10.53,;11.83,-9.76,;11.05,-8.42,;12.59,-8.42,;10.5,-10.53,;10.49,-12.07,;9.16,-12.83,;7.83,-12.05,;7.82,-10.52,;9.16,-9.75,;6.5,-12.83,;5.16,-12.06,;5.16,-10.51,;3.82,-9.74,;2.49,-10.52,;2.49,-12.06,;3.83,-12.83,;1.16,-9.75,;-.18,-10.52,;.38,-8.41,;1.92,-8.41,)| Show InChI InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-3-10-22(30-14-17)31-18-4-8-20(9-5-18)35(33,34)19-6-1-15(2-7-19)16-11-12-29-21(13-16)23(28)32/h1-3,6-7,10-14,18,20H,4-5,8-9H2,(H2,28,32)(H,30,31)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50255479 (CHEMBL4067429) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at CCR7 (unknown origin)				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50422828 (CENICRIVIROC | CENICRIVIROC MESYLATE | TAK-652 | T...) Show SMILES CCCCOCCOc1ccc(cc1)-c1ccc2N(CC(C)C)CCCC(=Cc2c1)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC |r,w:27.28| Show InChI InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/t50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of [125I]MIP-3beta from CCR7 expressed in CHO cells				J Med Chem 49: 2037-48 (2006) Article DOI: 10.1021/jm0509703 BindingDB Entry DOI: 10.7270/Q23N2303
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463599 (CHEMBL4245355) Show SMILES NC(=O)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(45.22,-7.98,;43.89,-8.75,;43.89,-10.29,;42.55,-7.98,;41.22,-8.75,;39.88,-7.98,;39.89,-6.44,;41.22,-5.67,;42.55,-6.44,;38.56,-5.67,;37.22,-6.44,;35.89,-5.66,;35.91,-4.12,;37.23,-3.36,;38.56,-4.12,;34.57,-3.35,;33.79,-2.01,;35.33,-2.01,;33.24,-4.12,;33.23,-5.66,;31.9,-6.42,;30.57,-5.65,;30.56,-4.11,;31.9,-3.35,;29.24,-6.42,;27.91,-5.65,;27.9,-4.1,;26.56,-3.34,;25.24,-4.11,;25.23,-5.65,;26.57,-6.42,;23.9,-3.34,;22.57,-4.11,;23.12,-2,;24.66,-2,)| Show InChI InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-4-12-22(30-14-17)31-18-5-9-20(10-6-18)35(33,34)19-7-1-15(2-8-19)16-3-11-21(23(28)32)29-13-16/h1-4,7-8,11-14,18,20H,5-6,9-10H2,(H2,28,32)(H,30,31)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463583 (CHEMBL4242040) Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 |r,wU:12.15,wD:9.8,(2.41,-58.88,;3.74,-58.11,;2.96,-56.77,;4.5,-56.77,;5.08,-58.88,;6.4,-58.1,;7.74,-58.87,;7.75,-60.42,;9.08,-61.19,;10.41,-60.41,;11.74,-61.19,;13.07,-60.43,;13.08,-58.89,;11.74,-58.11,;10.4,-58.88,;14.41,-58.12,;13.63,-56.78,;15.17,-56.78,;15.75,-58.89,;15.73,-60.43,;17.06,-61.21,;18.4,-60.44,;18.4,-58.89,;17.07,-58.12,;19.73,-61.21,;19.72,-62.75,;21.06,-63.52,;22.39,-62.75,;22.39,-61.2,;21.06,-60.44,;23.73,-63.52,;25.05,-64.29,;6.41,-61.19,;5.07,-60.42,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463578 (CHEMBL4250007) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(46,-48.4,;44.66,-49.17,;44.66,-50.71,;43.33,-48.4,;41.99,-49.17,;40.66,-48.4,;40.67,-46.86,;41.99,-46.09,;43.33,-46.86,;39.34,-46.09,;38,-46.86,;36.67,-46.08,;36.68,-44.54,;38,-43.78,;39.34,-44.54,;35.35,-43.77,;34.57,-42.43,;36.11,-42.43,;34.02,-44.54,;34.01,-46.08,;32.68,-46.84,;31.35,-46.07,;31.34,-44.53,;32.68,-43.77,;30.02,-46.84,;28.68,-46.07,;28.68,-44.52,;27.34,-43.76,;26.01,-44.53,;26.01,-46.07,;27.35,-46.84,;24.68,-43.76,;23.35,-44.53,;23.9,-42.42,;25.44,-42.42,)| Show InChI InChI=1S/C25H24F3N3O3S/c26-25(27,28)19-7-14-23(30-15-19)31-20-8-12-22(13-9-20)35(33,34)21-10-5-17(6-11-21)16-1-3-18(4-2-16)24(29)32/h1-7,10-11,14-15,20,22H,8-9,12-13H2,(H2,29,32)(H,30,31)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463592 (CHEMBL4245036) Show SMILES O=S(=O)(N1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H22N4O2S/c24-16-18-6-11-23(25-17-18)26-21-12-14-27(15-13-21)30(28,29)22-9-7-20(8-10-22)19-4-2-1-3-5-19/h1-11,17,21H,12-15H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50463582 (CHEMBL4245957) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N Show InChI InChI=1S/C18H20N4O2S/c1-14-2-5-17(6-3-14)25(23,24)22-10-8-16(9-11-22)21-18-7-4-15(12-19)13-20-18/h2-7,13,16H,8-11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubate...				Bioorg Med Chem Lett 28: 3067-3072 (2018) Article DOI: 10.1016/j.bmcl.2018.07.042 BindingDB Entry DOI: 10.7270/Q2DF6TWP
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50255479 (CHEMBL4067429) Show SMILES CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@@]1(C)CCOC1 |r,t:1| Show InChI InChI=1S/C18H23ClN2O5S/c1-11-4-3-5-13(11)20-17(23)21-14-7-6-12(19)16(15(14)22)27(24,25)18(2)8-9-26-10-18/h4,6-7,13,22H,3,5,8-10H2,1-2H3,(H2,20,21,23)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Neurosciences Therapeutic Area Unit , GSK Pharmaceuticals R&D , 898 Halei Road, Zhangjiang Hi-Tech Park , Pudong , Shanghai 201203 , P. R. China. Curated by ChEMBL					Assay Description Antagonist activity at CCR7 (unknown origin)				J Med Chem 61: 2518-2532 (2018) Article DOI: 10.1021/acs.jmedchem.7b01854 BindingDB Entry DOI: 10.7270/Q2959M1F
					More data for this Ligand-Target Pair