Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'bongartz' and Initial = 'jp'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292637 ((+)-1'-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4'...) Show SMILES Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292638 ((+)-1'-(4-bromobenzyl)-N,3-diphenyl-3,4'-bipiperid...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H34BrN3O/c31-27-14-12-24(13-15-27)22-33-20-16-26(17-21-33)30(25-8-3-1-4-9-25)18-7-19-34(23-30)29(35)32-28-10-5-2-6-11-28/h1-6,8-15,26H,7,16-23H2,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292671 ((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292671 ((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292637 ((+)-1'-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4'...) Show SMILES Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292637 ((+)-1'-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4'...) Show SMILES Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292665 ((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292665 ((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292667 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H29BrN2O/c25-23-9-7-20(8-10-23)17-26-15-11-22(12-16-26)24(21-5-2-1-3-6-21)13-4-14-27(18-24)19-28/h1-3,5-10,19,22H,4,11-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292648 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES COc1ccc(cc1C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1)S(O)(=O)=O Show InChI InChI=1S/C24H27BrN2O6S/c1-33-21-7-6-19(34(30,31)32)14-20(21)24(11-8-22(28)26-23(24)29)17-9-12-27(13-10-17)15-16-2-4-18(25)5-3-16/h2-7,14,17H,8-13,15H2,1H3,(H,26,28,29)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292670 ((+/-)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C2CC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C26H31BrN2O/c27-23-9-7-20(8-10-23)18-28-15-11-22(12-16-28)26(21-5-2-1-3-6-21)13-4-14-29(19-26)24-17-25(24)30/h1-3,5-10,22,24H,4,11-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292673 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES NS(=O)(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H30BrN3O2S/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(20-5-2-1-3-6-20)13-4-14-27(18-23)30(25,28)29/h1-3,5-10,21H,4,11-18H2,(H2,25,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292672 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES NC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C24H30BrN3O/c25-22-9-7-19(8-10-22)17-27-15-11-21(12-16-27)24(20-5-2-1-3-6-20)13-4-14-28(18-24)23(26)29/h1-3,5-10,21H,4,11-18H2,(H2,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292669 ((+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...) Show SMILES CCC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H33BrN2O/c1-2-25(30)29-16-6-15-26(20-29,22-7-4-3-5-8-22)23-13-17-28(18-14-23)19-21-9-11-24(27)12-10-21/h3-5,7-12,23H,2,6,13-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292657 ((+/-)-3-(3-aminophenyl)-1'-(4-bromobenzyl)-3,4'-bi...) Show SMILES Nc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H26BrN3O2/c24-19-6-4-16(5-7-19)15-27-12-9-17(10-13-27)23(11-8-21(28)26-22(23)29)18-2-1-3-20(25)14-18/h1-7,14,17H,8-13,15,25H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292666 ((+/-)-ethyl 1'-(4-bromobenzyl)-3-phenyl-3,4'-bipip...) Show SMILES CCOC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H33BrN2O2/c1-2-31-25(30)29-16-6-15-26(20-29,22-7-4-3-5-8-22)23-13-17-28(18-14-23)19-21-9-11-24(27)12-10-21/h3-5,7-12,23H,2,6,13-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50211114 ((-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydro...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018553 ((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Displacement of [125I]ITAC from CXCR3 in PHA/IL-2 activated human PBMC pretreated 30 mins before [125I]ITAC challenge after 1 hr by liquid scintillat...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292640 ((-)-1'-(4-chloro-3-fluorobenzyl)-3-phenyl-3,4'-bip...) Show SMILES Fc1cc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)ccc1Cl Show InChI InChI=1S/C23H24ClFN2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292674 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H27BrN2O/c24-21-8-6-18(7-9-21)16-26-14-11-20(12-15-26)23(13-10-22(27)25-17-23)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292642 ((+/-)-1'-(4-bromobenzyl)-3-(pyridin-2-yl)-3,4'-bip...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccn2)cc1 Show InChI InChI=1S/C22H24BrN3O2/c23-18-6-4-16(5-7-18)15-26-13-9-17(10-14-26)22(19-3-1-2-12-24-19)11-8-20(27)25-21(22)28/h1-7,12,17H,8-11,13-15H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018553 ((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292651 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES OC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C24H25BrN2O4/c25-20-6-4-16(5-7-20)15-27-12-9-18(10-13-27)24(11-8-21(28)26-23(24)31)19-3-1-2-17(14-19)22(29)30/h1-7,14,18H,8-13,15H2,(H,29,30)(H,26,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292644 ((+/-)-1'-(4-bromobenzyl)-3-(pyridin-4-yl)-3,4'-bip...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccncc2)cc1 Show InChI InChI=1S/C22H24BrN3O2/c23-19-3-1-16(2-4-19)15-26-13-8-18(9-14-26)22(17-6-11-24-12-7-17)10-5-20(27)25-21(22)28/h1-4,6-7,11-12,18H,5,8-10,13-15H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292668 ((+/-)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperi...) Show SMILES FC(F)(F)C(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H28BrF3N2O/c26-22-9-7-19(8-10-22)17-30-15-11-21(12-16-30)24(20-5-2-1-3-6-20)13-4-14-31(18-24)23(32)25(27,28)29/h1-3,5-10,21H,4,11-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018553 ((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018553 ((+)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidine-...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292655 ((+/-)-1'-(4-bromobenzyl)-3-(3-(morpholine-4-carbon...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2cccc(c2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C28H32BrN3O4/c29-24-6-4-20(5-7-24)19-31-12-9-22(10-13-31)28(11-8-25(33)30-27(28)35)23-3-1-2-21(18-23)26(34)32-14-16-36-17-15-32/h1-7,18,22H,8-17,19H2,(H,30,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292671 ((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018560 ((+/-)-1'-(4-chlorobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES Clc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H25ClN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292643 ((+/-)-1'-(4-bromobenzyl)-3-(pyridin-3-yl)-3,4'-bip...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2cccnc2)cc1 Show InChI InChI=1S/C22H24BrN3O2/c23-19-5-3-16(4-6-19)15-26-12-8-17(9-13-26)22(18-2-1-11-24-14-18)10-7-20(27)25-21(22)28/h1-6,11,14,17H,7-10,12-13,15H2,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292664 ((+/-)-1'-(4-bromobenzyl)-1-(methylthiomethyl)-3-ph...) Show SMILES CSCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1 Show InChI InChI=1S/C25H29BrN2O2S/c1-31-18-28-23(29)11-14-25(24(28)30,20-5-3-2-4-6-20)21-12-15-27(16-13-21)17-19-7-9-22(26)10-8-19/h2-10,21H,11-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292658 ((+/-)-1'-(4-bromobenzyl)-3-(3-hydroxyphenyl)-3,4'-...) Show SMILES Oc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H25BrN2O3/c24-19-6-4-16(5-7-19)15-26-12-9-17(10-13-26)23(11-8-21(28)25-22(23)29)18-2-1-3-20(27)14-18/h1-7,14,17,27H,8-13,15H2,(H,25,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292639 ((+/-)-1'-(3,4-dichlorobenzyl)-3-phenyl-3,4'-bipipe...) Show SMILES Clc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C23H24Cl2N2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292656 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES CN(N1CCNCC1)C(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C29H36BrN5O3/c1-33(35-17-13-31-14-18-35)27(37)22-3-2-4-24(19-22)29(12-9-26(36)32-28(29)38)23-10-15-34(16-11-23)20-21-5-7-25(30)8-6-21/h2-8,19,23,31H,9-18,20H2,1H3,(H,32,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292654 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES OCCCNC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C27H32BrN3O4/c28-23-7-5-19(6-8-23)18-31-14-10-21(11-15-31)27(12-9-24(33)30-26(27)35)22-4-1-3-20(17-22)25(34)29-13-2-16-32/h1,3-8,17,21,32H,2,9-16,18H2,(H,29,34)(H,30,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292645 ((+/-)-1'-(4-bromobenzyl)-3-(4-fluorophenyl)-3,4'-b...) Show SMILES Fc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H24BrFN2O2/c24-19-5-1-16(2-6-19)15-27-13-10-18(11-14-27)23(12-9-21(28)26-22(23)29)17-3-7-20(25)8-4-17/h1-8,18H,9-15H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292649 ((+/-)-1'-(4-bromobenzyl)-3-(3-chlorophenyl)-3,4'-b...) Show SMILES Clc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H24BrClN2O2/c24-19-6-4-16(5-7-19)15-27-12-9-17(10-13-27)23(11-8-21(28)26-22(23)29)18-2-1-3-20(25)14-18/h1-7,14,17H,8-13,15H2,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292647 ((+/-)-1'-(4-bromobenzyl)-3-(3-methoxyphenyl)-3,4'-...) Show SMILES COc1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C24H27BrN2O3/c1-30-21-4-2-3-19(15-21)24(12-9-22(28)26-23(24)29)18-10-13-27(14-11-18)16-17-5-7-20(25)8-6-17/h2-8,15,18H,9-14,16H2,1H3,(H,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292676 ((+/-)-1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidin...) Show SMILES Brc1ccc(CN2CCC(CC2)C2(CCCNC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H27BrN2O/c24-21-9-7-18(8-10-21)17-26-15-11-20(12-16-26)23(13-4-14-25-22(23)27)19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-17H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292663 ((+/-)-1'-(4-bromobenzyl)-1-(2-methoxyethyl)-3-phen...) Show SMILES COCCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1 Show InChI InChI=1S/C26H31BrN2O3/c1-32-18-17-29-24(30)11-14-26(25(29)31,21-5-3-2-4-6-21)22-12-15-28(16-13-22)19-20-7-9-23(27)10-8-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50292671 ((+)-2-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M2 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292665 ((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292677 ((+/-)-1'-(4-methylbenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES Cc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H28N2O2/c1-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)24(20-5-3-2-4-6-20)14-11-22(27)25-23(24)28/h2-10,21H,11-17H2,1H3,(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292659 ((+/-)-1'-(4-bromobenzyl)-1-methyl-3-phenyl-3,4'-bi...) Show SMILES CN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1 Show InChI InChI=1S/C24H27BrN2O2/c1-26-22(28)11-14-24(23(26)29,19-5-3-2-4-6-19)20-12-15-27(16-13-20)17-18-7-9-21(25)10-8-18/h2-10,20H,11-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292641 ((+/-)-1'-(4-chloro-3-(trifluoromethyl)benzyl)-3-ph...) Show SMILES FC(F)(F)c1cc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)ccc1Cl Show InChI InChI=1S/C24H24ClF3N2O2/c25-20-7-6-16(14-19(20)24(26,27)28)15-30-12-9-18(10-13-30)23(17-4-2-1-3-5-17)11-8-21(31)29-22(23)32/h1-7,14,18H,8-13,15H2,(H,29,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292660 ((+/-)-1'-(4-bromobenzyl)-1-ethyl-3-phenyl-3,4'-bip...) Show SMILES CCN1C(=O)CCC(C2CCN(Cc3ccc(Br)cc3)CC2)(C1=O)c1ccccc1 Show InChI InChI=1S/C25H29BrN2O2/c1-2-28-23(29)12-15-25(24(28)30,20-6-4-3-5-7-20)21-13-16-27(17-14-21)18-19-8-10-22(26)11-9-19/h3-11,21H,2,12-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50292665 ((+)-1-(1'-(4-bromobenzyl)-3-phenyl-3,4'-bipiperidi...) Show SMILES CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H31BrN2O/c1-20(29)28-15-5-14-25(19-28,22-6-3-2-4-7-22)23-12-16-27(17-13-23)18-21-8-10-24(26)11-9-21/h2-4,6-11,23H,5,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50292652 ((+/-)-3-(1'-(4-bromobenzyl)-2,6-dioxo-3,4'-bipiper...) Show SMILES NC(=O)c1cccc(c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1 Show InChI InChI=1S/C24H26BrN3O3/c25-20-6-4-16(5-7-20)15-28-12-9-18(10-13-28)24(11-8-21(29)27-23(24)31)19-3-1-2-17(14-19)22(26)30/h1-7,14,18H,8-13,15H2,(H2,26,30)(H,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair

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