Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'behera' and Initial = 'ak'   

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 9 (Homo sapiens (Human))	BDBM393561 (US9969687, Compound 232) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccsc1C#N Show InChI InChI=1S/C23H18ClN3O4S2/c1-23(2,3)13-4-6-14(7-5-13)33(30,31)26-16-9-8-15(24)19-20(16)22(29)27(21(19)28)17-10-11-32-18(17)12-25/h4-11,26H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393520 (US9969687, Compound 183) Show SMILES COc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-7-9-15(10-8-14)34(31,32)27-17-12-11-16(25)19-20(17)23(30)28(22(19)29)18-6-5-13-26-21(18)33-4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393572 (US9969687, Compound 244) Show SMILES Cc1cnccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O4S/c1-14-13-26-12-11-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)27-33(31,32)16-7-5-15(6-8-16)24(2,3)4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393600 (US9969687, Compound 281) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccc[nH]c1=O Show InChI InChI=1S/C23H20ClN3O5S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)26-16-11-10-15(24)18-19(16)22(30)27(21(18)29)17-5-4-12-25-20(17)28/h4-12,26H,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393530 (US9969687, Compound 194) Show SMILES COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393559 (US9969687, Compound 230) Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1 Show InChI InChI=1S/C25H24ClN3O6S/c1-25(2,3)14-6-8-15(9-7-14)36(32,33)28-17-11-10-16(26)20-21(17)24(31)29(23(20)30)18-12-13-19(34-4)27-22(18)35-5/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393557 (US9969687, Compound 228) Show SMILES Cc1cccc(n1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O4S/c1-14-6-5-7-19(26-14)28-22(29)20-17(25)12-13-18(21(20)23(28)30)27-33(31,32)16-10-8-15(9-11-16)24(2,3)4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393553 (US9969687, Compound 224) Show SMILES Cc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1 Show InChI InChI=1S/C25H24ClN3O4S/c1-14-6-13-20(15(2)27-14)29-23(30)21-18(26)11-12-19(22(21)24(29)31)28-34(32,33)17-9-7-16(8-10-17)25(3,4)5/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393569 (US9969687, Compound 241) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3c(F)ccc[n+]3[O-])C(=O)c12 Show InChI InChI=1S/C24H21ClFN3O5S/c1-24(2,3)14-6-8-15(9-7-14)35(33,34)27-18-11-10-16(25)20-21(18)23(31)28(22(20)30)13-19-17(26)5-4-12-29(19)32/h4-12,27H,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393566 (US9969687, Compound 237) Show SMILES COc1nccc(C)c1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O5S/c1-14-12-13-27-22(34-5)21(14)29-23(30)19-17(26)10-11-18(20(19)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393606 (US9969687, Compound 287) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1C(O)=O Show InChI InChI=1S/C24H20ClN3O6S/c1-24(2,3)13-6-8-14(9-7-13)35(33,34)27-16-11-10-15(25)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)23(31)32/h4-12,27H,1-3H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393534 (US9969687, Compound 199) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccc[n+]3[O-])C(=O)c12 Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-7-9-17(10-8-15)34(32,33)26-19-12-11-18(25)20-21(19)23(30)27(22(20)29)14-16-6-4-5-13-28(16)31/h4-13,26H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393585 (US9969687, Compound 261) Show SMILES COc1ncc(C)cc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O5S/c1-14-12-19(22(34-5)27-13-14)29-23(30)20-17(26)10-11-18(21(20)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393516 (US9969687, Compound 175) Show SMILES Cc1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O4S/c1-14-19(6-5-13-26-14)28-22(29)20-17(25)11-12-18(21(20)23(28)30)27-33(31,32)16-9-7-15(8-10-16)24(2,3)4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393552 (US9969687, Compound 222) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccccn1 Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-7-9-15(10-8-14)32(30,31)26-17-12-11-16(24)19-20(17)22(29)27(21(19)28)18-6-4-5-13-25-18/h4-13,26H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393603 (US9969687, Compound 284) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ccc[nH]c3=O)C(=O)c12 Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-6-8-16(9-7-15)34(32,33)27-18-11-10-17(25)19-20(18)23(31)28(22(19)30)13-14-5-4-12-26-21(14)29/h4-12,27H,13H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393528 (US9969687, Compound 192) Show SMILES Cn1cncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C22H21ClN4O4S/c1-22(2,3)13-5-7-14(8-6-13)32(30,31)25-16-10-9-15(23)18-19(16)21(29)27(20(18)28)17-11-24-12-26(17)4/h5-12,25H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393567 (US9969687, Compound 238) Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(C)n1 Show InChI InChI=1S/C25H24ClN3O5S/c1-14-19(12-13-20(27-14)34-5)29-23(30)21-17(26)10-11-18(22(21)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393517 (US9969687, Compound 176) Show SMILES Cc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393609 (US9969687, Compound 290) Show SMILES CCOC(=O)c1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C26H24ClN3O7S/c1-5-37-25(33)22-19(7-6-14-29(22)34)30-23(31)20-17(27)12-13-18(21(20)24(30)32)28-38(35,36)16-10-8-15(9-11-16)26(2,3)4/h6-14,28H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393605 (US9969687, Compound 286) Show SMILES CCOC(=O)c1ncccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C26H24ClN3O6S/c1-5-36-25(33)22-19(7-6-14-28-22)30-23(31)20-17(27)12-13-18(21(20)24(30)32)29-37(34,35)16-10-8-15(9-11-16)26(2,3)4/h6-14,29H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393610 (US9969687, Compound 291) Show SMILES COC(=O)c1cc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)n(C)n1 Show InChI InChI=1S/C24H23ClN4O6S/c1-24(2,3)13-6-8-14(9-7-13)36(33,34)27-16-11-10-15(25)19-20(16)22(31)29(21(19)30)18-12-17(23(32)35-5)26-28(18)4/h6-12,27H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393611 (US9969687, Compound 292) Show SMILES COC(=O)c1cc(nn1C)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H23ClN4O6S/c1-24(2,3)13-6-8-14(9-7-13)36(33,34)27-16-11-10-15(25)19-20(16)22(31)29(21(19)30)18-12-17(23(32)35-5)28(4)26-18/h6-12,27H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393541 (US9969687, Compound 208) Show SMILES Cc1ccncc1CN1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O4S/c1-15-11-12-27-13-16(15)14-29-23(30)21-19(26)9-10-20(22(21)24(29)31)28-34(32,33)18-7-5-17(6-8-18)25(2,3)4/h5-13,28H,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393536 (US9969687, Compound 201) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ccncc3)C(=O)c12 Show InChI InChI=1S/C24H22ClN3O4S/c1-24(2,3)16-4-6-17(7-5-16)33(31,32)27-19-9-8-18(25)20-21(19)23(30)28(22(20)29)14-15-10-12-26-13-11-15/h4-13,27H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393598 (US9969687, Compound 279) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(C#N)c2C(=O)N(Cc3ccccn3)C(=O)c12 Show InChI InChI=1S/C25H22N4O4S/c1-25(2,3)17-8-10-19(11-9-17)34(32,33)28-20-12-7-16(14-26)21-22(20)24(31)29(23(21)30)15-18-6-4-5-13-27-18/h4-13,28H,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393597 (US9969687, Compound 278) Show SMILES COc1cncc(c1)N1C(=O)c2c(C1=O)c(ccc2NS(=O)(=O)c1ccc(cc1)C(C)(C)C)C#N Show InChI InChI=1S/C25H22N4O5S/c1-25(2,3)16-6-8-19(9-7-16)35(32,33)28-20-10-5-15(12-26)21-22(20)24(31)29(23(21)30)17-11-18(34-4)14-27-13-17/h5-11,13-14,28H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393580 (US9969687, Compound 256) Show SMILES Cc1cnc(C#N)c(c1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H21ClN4O4S/c1-14-11-20(19(12-27)28-13-14)30-23(31)21-17(26)9-10-18(22(21)24(30)32)29-35(33,34)16-7-5-15(6-8-16)25(2,3)4/h5-11,13,29H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393588 (US9969687, Compound 264) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccncc1 Show InChI InChI=1S/C23H20ClN3O4S/c1-23(2,3)14-4-6-16(7-5-14)32(30,31)26-18-9-8-17(24)19-20(18)22(29)27(21(19)28)15-10-12-25-13-11-15/h4-13,26H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393602 (US9969687, Compound 283) Show SMILES Cc1cc(C)c(CN2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(=O)[nH]1 Show InChI InChI=1S/C26H26ClN3O5S/c1-14-12-15(2)28-23(31)18(14)13-30-24(32)21-19(27)10-11-20(22(21)25(30)33)29-36(34,35)17-8-6-16(7-9-17)26(3,4)5/h6-12,29H,13H2,1-5H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393581 (US9969687, Compound 257) Show SMILES CCc1c(OC)cncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C26H26ClN3O5S/c1-6-17-20(13-28-14-21(17)35-5)30-24(31)22-18(27)11-12-19(23(22)25(30)32)29-36(33,34)16-9-7-15(8-10-16)26(2,3)4/h7-14,29H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393562 (US9969687, Compound 233) Show SMILES Cc1cccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)[n+]1[O-] Show InChI InChI=1S/C24H22ClN3O5S/c1-14-6-5-7-19(28(14)31)27-22(29)20-17(25)12-13-18(21(20)23(27)30)26-34(32,33)16-10-8-15(9-11-16)24(2,3)4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393529 (US9969687, Compound 193) Show SMILES Cn1ccc(CN2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)n1 Show InChI InChI=1S/C23H23ClN4O4S/c1-23(2,3)14-5-7-16(8-6-14)33(31,32)26-18-10-9-17(24)19-20(18)22(30)28(21(19)29)13-15-11-12-27(4)25-15/h5-12,26H,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393584 (US9969687, Compound 260) Show SMILES COc1ccc(nc1C)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O5S/c1-14-19(34-5)12-13-20(27-14)29-23(30)21-17(26)10-11-18(22(21)24(29)31)28-35(32,33)16-8-6-15(7-9-16)25(2,3)4/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393545 (US9969687, Compound 213) Show SMILES Cc1cc[n+]([O-])cc1CN1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O5S/c1-15-11-12-28(32)13-16(15)14-29-23(30)21-19(26)9-10-20(22(21)24(29)31)27-35(33,34)18-7-5-17(6-8-18)25(2,3)4/h5-13,27H,14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393509 (US9969687, Compound 144) Show SMILES Cn1nccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C22H21ClN4O4S/c1-22(2,3)13-5-7-14(8-6-13)32(30,31)25-16-10-9-15(23)18-19(16)21(29)27(20(18)28)17-11-12-24-26(17)4/h5-12,25H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393568 (US9969687, Compound 239) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ncccc3F)C(=O)c12 Show InChI InChI=1S/C24H21ClFN3O4S/c1-24(2,3)14-6-8-15(9-7-14)34(32,33)28-18-11-10-16(25)20-21(18)23(31)29(22(20)30)13-19-17(26)5-4-12-27-19/h4-12,28H,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393522 (US9969687, Compound 185) Show SMILES Cc1ccncc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O4S/c1-14-11-12-26-13-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)27-33(31,32)16-7-5-15(6-8-16)24(2,3)4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393601 (US9969687, Compound 282) Show SMILES Cn1cc(ccc1=O)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-8-16(9-6-14)34(32,33)26-18-11-10-17(25)20-21(18)23(31)28(22(20)30)15-7-12-19(29)27(4)13-15/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393555 (US9969687, Compound 226) Show SMILES Cc1ccc(nc1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O4S/c1-14-5-12-19(26-13-14)28-22(29)20-17(25)10-11-18(21(20)23(28)30)27-33(31,32)16-8-6-15(7-9-16)24(2,3)4/h5-13,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393607 (US9969687, Compound 288) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccsc1C(O)=O Show InChI InChI=1S/C23H19ClN2O6S2/c1-23(2,3)12-4-6-13(7-5-12)34(31,32)25-15-9-8-14(24)17-18(15)21(28)26(20(17)27)16-10-11-33-19(16)22(29)30/h4-11,25H,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393521 (US9969687, Compound 184) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cnccn1 Show InChI InChI=1S/C22H19ClN4O4S/c1-22(2,3)13-4-6-14(7-5-13)32(30,31)26-16-9-8-15(23)18-19(16)21(29)27(20(18)28)17-12-24-10-11-25-17/h4-12,26H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393589 (US9969687, Compound 266) Show SMILES CCc1c(OC)c[n+]([O-])cc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C26H26ClN3O6S/c1-6-17-20(13-29(33)14-21(17)36-5)30-24(31)22-18(27)11-12-19(23(22)25(30)32)28-37(34,35)16-9-7-15(8-10-16)26(2,3)4/h7-14,28H,6H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393587 (US9969687, Compound 263) Show SMILES Cc1cnc(C)c(c1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C25H24ClN3O4S/c1-14-12-20(15(2)27-13-14)29-23(30)21-18(26)10-11-19(22(21)24(29)31)28-34(32,33)17-8-6-16(7-9-17)25(3,4)5/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393549 (US9969687, Compound 218) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393494 (US9969687, Compound 64) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccnc3)C(=O)c12 Show InChI InChI=1S/C24H22ClN3O4S/c1-24(2,3)16-6-8-17(9-7-16)33(31,32)27-19-11-10-18(25)20-21(19)23(30)28(22(20)29)14-15-5-4-12-26-13-15/h4-13,27H,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393593 (US9969687, Compound 272) Show SMILES Cc1c[n+]([O-])ccc1N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C24H22ClN3O5S/c1-14-13-27(31)12-11-19(14)28-22(29)20-17(25)9-10-18(21(20)23(28)30)26-34(32,33)16-7-5-15(6-8-16)24(2,3)4/h5-13,26H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393539 (US9969687, Compound 204) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3ncccn3)C(=O)c12 Show InChI InChI=1S/C23H21ClN4O4S/c1-23(2,3)14-5-7-15(8-6-14)33(31,32)27-17-10-9-16(24)19-20(17)22(30)28(21(19)29)13-18-25-11-4-12-26-18/h4-12,27H,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393550 (US9969687, Compound 219) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1ccc(F)cn1 Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-4-7-15(8-5-13)33(31,32)27-17-10-9-16(24)19-20(17)22(30)28(21(19)29)18-11-6-14(25)12-26-18/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393565 (US9969687, Compound 236) Show SMILES Cc1ccc(nn1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl Show InChI InChI=1S/C23H21ClN4O4S/c1-13-5-12-18(26-25-13)28-21(29)19-16(24)10-11-17(20(19)22(28)30)27-33(31,32)15-8-6-14(7-9-15)23(2,3)4/h5-12,27H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair

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