BDBM50349657 CHEMBL1809017

SMILES: Fc1ccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)cc1

InChI Key: InChIKey=BHHSURAGESLEOB-UZUQRXQVSA-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 = 50349657   

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))	BDBM50349657 (CHEMBL1809017) Show SMILES Fc1ccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)cc1 |r,c:11| Show InChI InChI=1S/C26H25FN4O2/c27-18-6-8-19(9-7-18)29-26(33)31-15-17(25(32)30-10-1-2-11-30)12-21-20-4-3-5-22-24(20)16(14-28-22)13-23(21)31/h3-9,12,14,17,23,28H,1-2,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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)	BDBM50349657 (CHEMBL1809017) Show SMILES Fc1ccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)cc1 |r,c:11| Show InChI InChI=1S/C26H25FN4O2/c27-18-6-8-19(9-7-18)29-26(33)31-15-17(25(32)30-10-1-2-11-30)12-21-20-4-3-5-22-24(20)16(14-28-22)13-23(21)31/h3-9,12,14,17,23,28H,1-2,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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))	BDBM50349657 (CHEMBL1809017) Show SMILES Fc1ccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)cc1 |r,c:11| Show InChI InChI=1S/C26H25FN4O2/c27-18-6-8-19(9-7-18)29-26(33)31-15-17(25(32)30-10-1-2-11-30)12-21-20-4-3-5-22-24(20)16(14-28-22)13-23(21)31/h3-9,12,14,17,23,28H,1-2,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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