Compile Data Set for Download or QSAR

Found 485 hits of ic50 for UniProtKB: P51684   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172369 (US9090596, 50) Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C23H25N3O6/c1-12-8-9-15(32-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM291181 (6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...) Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C Show InChI InChI=1S/C23H27N3O5S2/c1-13-10-11-16(31-13)19(17-8-6-12-32-17)25-21-20(22(27)23(21)28)24-15-7-5-9-18(14(15)2)33(29,30)26(3)4/h5,7,9-11,17,19,24-25H,6,8,12H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172372 (US9090596, 53) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C25H29ClN4O7S/c1-14-4-7-17(37-14)24(25(2)12-36-13-25)28-19-18(21(32)22(19)33)27-16-6-5-15(26)23(20(16)31)38(34,35)30-10-8-29(3)9-11-30/h4-7,24,27-28,31H,8-13H2,1-3H3/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM291172 (2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...) Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM236791 (US9388149, 22 | US9580412, Example 22) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |w:20.21| Show InChI InChI=1S/C25H29ClN4O6S2/c1-14-5-8-17(36-14)19(18-4-3-13-37-18)28-21-20(23(32)24(21)33)27-16-7-6-15(26)25(22(16)31)38(34,35)30-11-9-29(2)10-12-30/h5-8,18-19,27-28,31H,3-4,9-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM291172 (2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...) Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O Show InChI InChI=1S/C23H27N3O6/c1-12-8-9-15(32-12)21(23(2)10-5-11-31-23)26-17-16(19(28)20(17)29)25-14-7-4-6-13(18(14)27)22(30)24-3/h4,6-9,16-17,21,25-27H,5,10-11H2,1-3H3,(H,24,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172342 (US9090596, 22) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O Show InChI InChI=1S/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM172328 (US9090596, 8) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C27H29N3O8/c1-14-9-10-18(38-14)24(27(2)12-37-13-27)29-20-19(22(32)23(20)33)28-16-7-4-6-15(21(16)31)25(34)30-11-5-8-17(30)26(35)36-3/h4,6-7,9-10,17,24,28-29,31H,5,8,11-13H2,1-3H3/t17-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...				US Patent US9090596 (2015) BindingDB Entry DOI: 10.7270/Q2M04462
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531207 ((R)-3-((3-chloro-2-hydroxyphenyl)amino)-4-((5,5-di...) Show SMILES CC1(C)CCc2occc2[C@@H]1Nc1c(Nc2cccc(Cl)c2O)c(=O)c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531086 ((R)-6-chloro-3-((2-((2,2-dimethyl-1-phenylpropyl)a...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccccc3)C(C)(C)C)c(=O)c2=O)c1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM236795 (US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O Show InChI InChI=1S/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531125 ((R)-3-((2-((5,5-dimethyl-4,5,6,7-tetrahydrobenzofu...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM236789 (US9388149, 20 | US9580412, Example 20) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:21.21| Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531139 (6-chloro-3-((2-((2,2-dimethyl-1-phenylbutyl)amino)...) Show SMILES CCC(C)(C)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM291177 (US9580412, Example 6 | US9580412, Example 7 | meth...) Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM236788 (US9388149, 19 | US9580412, Example 19) Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r,w:19.23| Show InChI InChI=1S/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GALDERMA RESEARCH & DEVELOPMENT US Patent					Assay Description The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the β-a...				US Patent US9580412 (2017) BindingDB Entry DOI: 10.7270/Q2222WT6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531128 ((R)-6-chloro-3-((2-((5,5-dimethyl-4,5,6,7-tetrahyd...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H]3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM50463603 (CHEMBL4239904) Show SMILES NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F |r,wU:18.19,wD:21.26,(22.89,-52.56,;21.56,-51.8,;21.55,-50.26,;20.23,-52.57,;20.23,-54.12,;18.89,-54.89,;17.56,-54.12,;17.57,-52.58,;18.89,-51.81,;16.24,-51.81,;14.9,-52.57,;13.57,-51.8,;13.58,-50.26,;14.91,-49.49,;16.24,-50.26,;12.25,-49.49,;11.47,-48.14,;13.01,-48.14,;10.92,-50.25,;10.91,-51.79,;9.58,-52.56,;8.25,-51.78,;8.24,-50.25,;9.58,-49.48,;6.92,-52.55,;5.58,-51.79,;5.58,-50.24,;4.24,-49.47,;2.91,-50.24,;2.91,-51.79,;4.25,-52.56,;1.58,-49.47,;.25,-50.24,;.8,-48.13,;2.34,-48.13,)| Show InChI InChI=1S/C25H24F3N3O3S/c26-25(27,28)19-6-13-23(30-15-19)31-20-7-11-22(12-8-20)35(33,34)21-9-4-16(5-10-21)17-2-1-3-18(14-17)24(29)32/h1-6,9-10,13-15,20,22H,7-8,11-12H2,(H2,29,32)(H,30,31)/t20-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531113 (6-chloro-3-((3,4-dioxo-2-((4,5,6,7-tetrahydrobenzo...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCc4occc34)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531147 (6-chloro-3-((2-((6,6-dimethyl-4,5,6,7-tetrahydrobe...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4occc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531124 (3-((2-((5,5-dimethyl-4,5,6,7-tetrahydrobenzofuran-...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531148 (3-((2-((6,6-dimethyl-4,5,6,7-tetrahydrobenzofuran-...) Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC3c4occc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531188 (3-((4-chloro-2-hydroxy-3-((4-methylpiperazin-1-yl)...) Show SMILES CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N2CCN(C)CC2)c(=O)c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531133 (6-chloro-3-((2-((2,2-dimethyl-1-(5-methylfuran-2-y...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM50463604 (CHEMBL4251268) Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccncc2)nc1 |r,wU:12.15,wD:9.8,(3.02,-35.92,;4.35,-35.15,;3.57,-33.82,;5.11,-33.82,;5.68,-35.92,;7.01,-35.15,;8.35,-35.92,;8.35,-37.47,;9.69,-38.24,;11.02,-37.46,;12.35,-38.24,;13.68,-37.48,;13.68,-35.94,;12.35,-35.16,;11.01,-35.93,;15.02,-35.17,;14.24,-33.82,;15.78,-33.82,;16.35,-35.94,;16.34,-37.48,;17.67,-38.25,;19.01,-37.49,;19.01,-35.94,;17.67,-35.17,;20.34,-38.26,;20.33,-39.8,;21.66,-40.57,;23,-39.8,;23,-38.25,;21.66,-37.49,;7.01,-38.24,;5.68,-37.47,)| Show InChI InChI=1S/C23H22F3N3O2S/c24-23(25,26)18-3-10-22(28-15-18)29-19-4-8-21(9-5-19)32(30,31)20-6-1-16(2-7-20)17-11-13-27-14-12-17/h1-3,6-7,10-15,19,21H,4-5,8-9H2,(H,28,29)/t19-,21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531121 (6-chloro-3-((2-((2,2-dimethyl-1-(m-tolyl)propyl)am...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3cccc(C)c3)C(C)(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531160 (6-chloro-3-((2-((2,2-dimethylcyclohexyl)amino)-3,4...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531144 (3-((5,5-dimethyl-4,5,6,7-tetrahydrobenzofuran-4-yl...) Show SMILES CC1(C)CCc2occc2C1Nc1c(Nc2cccc(C(=O)N3CCOCC3)c2O)c(=O)c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531083 (6-chloro-3-((2-((2,2-dimethyl-1,2,3,4-tetrahydrona...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccccc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531132 (6-chloro-3-((2-((1-(furan-2-yl)-2,2-dimethylpropyl...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccco3)C(C)(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM50463579 (CHEMBL4249063) Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(nc2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.69,-11.44,;24.02,-10.67,;23.24,-9.33,;24.78,-9.33,;25.35,-11.44,;26.68,-10.67,;28.02,-11.43,;28.02,-12.98,;29.36,-13.75,;30.69,-12.98,;32.02,-13.76,;33.35,-12.99,;33.36,-11.45,;32.02,-10.68,;30.68,-11.45,;34.69,-10.69,;33.91,-9.34,;35.45,-9.34,;36.02,-11.46,;36.01,-13,;37.34,-13.77,;38.68,-13,;38.68,-11.46,;37.35,-10.69,;40.01,-13.78,;40,-15.32,;41.33,-16.09,;42.67,-15.32,;42.67,-13.77,;41.33,-13.01,;44,-16.09,;45.33,-16.85,;26.69,-13.76,;25.35,-12.99,)| Show InChI InChI=1S/C24H21F3N4O2S/c25-24(26,27)18-4-12-23(30-15-18)31-19-6-10-22(11-7-19)34(32,33)21-8-2-16(3-9-21)17-1-5-20(13-28)29-14-17/h1-5,8-9,12,14-15,19,22H,6-7,10-11H2,(H,30,31)/t19-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531181 (6-chloro-3-((2-((cyclopentyl(phenyl)methyl)amino)-...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCC3)c3ccccc3)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531127 (6-chloro-3-((2-((5,5-dimethyl-4,5,6,7-tetrahydrobe...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531182 (6-chloro-2-hydroxy-3-((2-((1-(2-methoxyethyl)cyclo...) Show SMILES COCCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in human CCL20-dependent cell migration incubated for 4 hrs by Diff-Quik stainin...				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 6 (Homo sapiens (Human))	BDBM531120 (6-chloro-2-hydroxy-3-((2-((1-(3-methoxyphenyl)-2,2...) Show SMILES COc1cccc(c1)C(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531122 (6-chloro-3-((3,4-dioxo-2-((2,3,3-trimethylbutan-2-...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C)(C)C(C)(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531193 (6-chloro-3-((2-((1-ethylcyclopentyl)amino)-3,4-dio...) Show SMILES CCC1(CCCC1)Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531145 (3-((4-chloro-2-hydroxy-3-((4-methylpiperazin-1-yl)...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCC3(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM50463601 (CHEMBL4239428) Show SMILES FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2cccc(c2)C#N)nc1 |r,wU:12.15,wD:9.8,(22.76,-58.96,;24.1,-58.19,;23.32,-56.86,;24.86,-56.86,;25.43,-58.96,;26.76,-58.19,;28.09,-58.96,;28.1,-60.51,;29.44,-61.27,;30.77,-60.5,;32.1,-61.28,;33.43,-60.52,;33.43,-58.98,;32.1,-58.2,;30.76,-58.97,;34.77,-58.21,;33.99,-56.86,;35.53,-56.86,;36.1,-58.98,;36.09,-60.52,;37.42,-61.29,;38.76,-60.53,;38.75,-58.98,;37.42,-58.21,;40.09,-61.3,;40.08,-62.84,;41.41,-63.61,;42.75,-62.84,;42.74,-61.29,;41.41,-60.53,;44.08,-60.52,;45.4,-59.74,;26.76,-61.28,;25.43,-60.51,)| Show InChI InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-6-13-24(30-16-20)31-21-7-11-23(12-8-21)34(32,33)22-9-4-18(5-10-22)19-3-1-2-17(14-19)15-29/h1-6,9-10,13-14,16,21,23H,7-8,11-12H2,(H,30,31)/t21-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-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 6 (Homo sapiens (Human))	BDBM531208 (6-chloro-2-hydroxy-N,N-dimethyl-3-((2-((1-methylcy...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCC3)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531195 (3-((4-chloro-2-hydroxy-3-((4-methylpiperazin-1-yl)...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3(C)CCCCC3)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CCR6 expressed in CHO cells assessed as decrease in human CCL20-dependent cell migration incubated for 4 hrs by Diff-Quik stainin...				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 6 (Homo sapiens (Human))	BDBM531140 (6-chloro-3-((3,4-dioxo-2-((2,2,4,4-tetramethylpent...) Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C(C)(C)C)C(C)(C)C)c(=O)c2=O)c1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Homo sapiens (Human))	BDBM531141 (6-chloro-3-((2-((2,2-dimethylpentan-3-yl)amino)-3,...) Show SMILES CCC(Nc1c(Nc2ccc(Cl)c(c2O)S(=O)(=O)N(C)C)c(=O)c1=O)C(C)(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropr...				Citation and Details BindingDB Entry DOI: 10.7270/Q22F7RMJ
					More data for this Ligand-Target Pair

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