BDBM50349671 CHEMBL1809037

SMILES: CC(C)OC(=O)Cn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1

InChI Key: InChIKey=RNXRZAYVPFEIRJ-AJTFRIOCSA-N

Data: 3 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 3 hits for monomerid = 50349671   

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))	BDBM50349671 (CHEMBL1809037) Show SMILES CC(C)OC(=O)Cn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:15| Show InChI InChI=1S/C31H34N4O4/c1-20(2)39-28(36)19-34-17-21-16-27-25(24-11-8-12-26(34)29(21)24)15-22(30(37)33-13-6-7-14-33)18-35(27)31(38)32-23-9-4-3-5-10-23/h3-5,8-12,15,17,20,22,27H,6-7,13-14,16,18-19H2,1-2H3,(H,32,38)/t22-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Mus musculus)	BDBM50349671 (CHEMBL1809037) Show SMILES CC(C)OC(=O)Cn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:15| Show InChI InChI=1S/C31H34N4O4/c1-20(2)39-28(36)19-34-17-21-16-27-25(24-11-8-12-26(34)29(21)24)15-22(30(37)33-13-6-7-14-33)18-35(27)31(38)32-23-9-4-3-5-10-23/h3-5,8-12,15,17,20,22,27H,6-7,13-14,16,18-19H2,1-2H3,(H,32,38)/t22-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50349671 (CHEMBL1809037) Show SMILES CC(C)OC(=O)Cn1cc2C[C@H]3N(C[C@@H](C=C3c3cccc1c23)C(=O)N1CCCC1)C(=O)Nc1ccccc1 |r,c:15| Show InChI InChI=1S/C31H34N4O4/c1-20(2)39-28(36)19-34-17-21-16-27-25(24-11-8-12-26(34)29(21)24)15-22(30(37)33-13-6-7-14-33)18-35(27)31(38)32-23-9-4-3-5-10-23/h3-5,8-12,15,17,20,22,27H,6-7,13-14,16,18-19H2,1-2H3,(H,32,38)/t22-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
					More data for this Ligand-Target Pair