BDBM50413597 CHEMBL472421

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC1CCN(Cc2ccc(Cl)cc2F)CC1

InChI Key: InChIKey=WFTJNWLBHXDWAN-BUVFEPMLSA-N

Data: 2 KI

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 2 hits for monomerid = 50413597   

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))	BDBM50413597 (CHEMBL472421) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC1CCN(Cc2ccc(Cl)cc2F)CC1 |r,TLB:10:8:4.5:1| Show InChI InChI=1S/C22H32ClFN2/c1-21(2)16-6-9-22(21,3)20(12-16)25-18-7-10-26(11-8-18)14-15-4-5-17(23)13-19(15)24/h4-5,13,16,18,20,25H,6-12,14H2,1-3H3/t16-,20+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells				Bioorg Med Chem Lett 19: 2252-7 (2009) Article DOI: 10.1016/j.bmcl.2009.02.093 BindingDB Entry DOI: 10.7270/Q2DJ5GW6
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50413597 (CHEMBL472421) Show SMILES CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC1CCN(Cc2ccc(Cl)cc2F)CC1 |r,TLB:10:8:4.5:1| Show InChI InChI=1S/C22H32ClFN2/c1-21(2)16-6-9-22(21,3)20(12-16)25-18-7-10-26(11-8-18)14-15-4-5-17(23)13-19(15)24/h4-5,13,16,18,20,25H,6-12,14H2,1-3H3/t16-,20+,22+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells				Bioorg Med Chem Lett 19: 2252-7 (2009) Article DOI: 10.1016/j.bmcl.2009.02.093 BindingDB Entry DOI: 10.7270/Q2DJ5GW6
					More data for this Ligand-Target Pair