BDBM50349678 CHEMBL1806523

SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1

InChI Key InChIKey=MSOSXJRGMKTMRH-WZONZLPQSA-N

Data  6 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50349678   

TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 4nMAssay Description:Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Mus musculus)
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 4nMAssay Description:Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 5nMAssay Description:Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Rattus norvegicus)
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 3.30E+3nMAssay Description:Ex vivo receptor occupancy of CXCR3 in rat blood assessed as inhibition of ITAC binding after 1 hr by flow cytometryMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 700nMAssay Description:Ex vivo receptor occupancy of CXCR3 in human blood assessed as inhibition of ITAC binding after 1 hr by flow cytometryMore data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Rattus norvegicus)
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50349678(CHEMBL1806523)
Show SMILES O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1
Affinity DataIC50: 19nMAssay Description:Antagonist activity at CXCR3 in rat leukocytes assessed as inhibition of ITAC-induced cell migration by flow cytometryMore data for this Ligand-Target Pair