BDBM50198405 1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(3-methoxyphenyl)thiophen-2-yl)urea::CHEMBL244399

SMILES: COc1cccc(c1)-c1ccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)s1

InChI Key: InChIKey=MXVSXIFEPKIFKU-REWPJTCUSA-N

Data: 1 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 1 hit for monomerid = 50198405   

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))	BDBM50198405 (1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...) Show SMILES COc1cccc(c1)-c1ccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)s1 |t:22| Show InChI InChI=1S/C27H35N3O2S/c1-27(2)20-8-7-19(23(27)16-20)17-30-13-11-21(12-14-30)28-26(31)29-25-10-9-24(33-25)18-5-4-6-22(15-18)32-3/h4-7,9-10,15,20-21,23H,8,11-14,16-17H2,1-3H3,(H2,28,29,31)/t20-,23-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 697-701 (2007) Article DOI: 10.1016/j.bmcl.2006.10.088 BindingDB Entry DOI: 10.7270/Q2833RPB
					More data for this Ligand-Target Pair