BDBM50349661 CHEMBL1809025

SMILES: O=C(Nc1cccs1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1

InChI Key: InChIKey=OOAFUDLLZVCZTG-OXQOHEQNSA-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 = 50349661   

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))	BDBM50349661 (CHEMBL1809025) Show SMILES O=C(Nc1cccs1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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)	BDBM50349661 (CHEMBL1809025) Show SMILES O=C(Nc1cccs1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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))	BDBM50349661 (CHEMBL1809025) Show SMILES O=C(Nc1cccs1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C24H24N4O2S/c29-23(27-8-1-2-9-27)16-11-18-17-5-3-6-19-22(17)15(13-25-19)12-20(18)28(14-16)24(30)26-21-7-4-10-31-21/h3-7,10-11,13,16,20,25H,1-2,8-9,12,14H2,(H,26,30)/t16-,20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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