BDBM50229376 (R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide::CHEMBL253431

SMILES: CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F

InChI Key: InChIKey=HTCNHSYMFFGHJS-GOSISDBHSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50229376   

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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA				Bioorg Med Chem Lett 18: 688-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.060 BindingDB Entry DOI: 10.7270/Q2WQ03HW
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at CXCR3 assessed as ITAC-mediated migration of human PBMC in presence of 100% human plasma				Bioorg Med Chem Lett 18: 688-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.060 BindingDB Entry DOI: 10.7270/Q2WQ03HW
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma				Bioorg Med Chem Lett 18: 688-93 (2008) Article DOI: 10.1016/j.bmcl.2007.11.060 BindingDB Entry DOI: 10.7270/Q2WQ03HW
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3				Bioorg Med Chem Lett 22: 357-62 (2011) Article DOI: 10.1016/j.bmcl.2011.10.120 BindingDB Entry DOI: 10.7270/Q2S75GS5
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting				Bioorg Med Chem Lett 19: 5114-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma				Bioorg Med Chem Lett 19: 5114-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serum				Bioorg Med Chem Lett 22: 357-62 (2011) Article DOI: 10.1016/j.bmcl.2011.10.120 BindingDB Entry DOI: 10.7270/Q2S75GS5
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50229376 ((R)-N-(1-(3-(4-cyanophenyl)-4-oxo-3,4-dihydropyrid...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H25F4N5O4S/c1-3-43(41,42)14-13-37(25(39)16-20-8-11-24(30)23(15-20)29(31,32)33)18(2)27-36-26-22(5-4-12-35-26)28(40)38(27)21-9-6-19(17-34)7-10-21/h4-12,15,18H,3,13-14,16H2,1-2H3/t18-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair