BDBM50349653 CHEMBL1809012

SMILES: O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1

InChI Key: InChIKey=FCCMYTLKPUHBPV-BMZZKGLRSA-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 = 50349653   

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))	BDBM50349653 (CHEMBL1809012) Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25| Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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)	BDBM50349653 (CHEMBL1809012) Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25| Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50349653 (CHEMBL1809012) Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:25| Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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