BDBM50198139 CHEMBL397717::N-{4-[1-({[3,5-bis(trifluoromethyl)phenyl]methyl}carbamoyl)-3-[(1S,5'R)-5'-methylspiro[indene-1,4'-piperidine]-1'-yl]propyl]-1,3-thiazol-2-yl}bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

SMILES: C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12

InChI Key: InChIKey=RLNPOKFCWGHIDM-NRUNXBEZSA-N

Data: 2 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 2 hits for monomerid = 50198139   

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50198139 (CHEMBL397717 | N-{4-[1-({[3,5-bis(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12 |w:32.32,6.5,c:49| Show InChI InChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 expressed in monocytes				Bioorg Med Chem Lett 17: 309-14 (2007) Article DOI: 10.1016/j.bmcl.2006.10.059 BindingDB Entry DOI: 10.7270/Q25B0247
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Mus musculus)	BDBM50198139 (CHEMBL397717 | N-{4-[1-({[3,5-bis(trifluoromethyl)...) Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12 |w:32.32,6.5,c:49| Show InChI InChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes				Bioorg Med Chem Lett 17: 309-14 (2007) Article DOI: 10.1016/j.bmcl.2006.10.059 BindingDB Entry DOI: 10.7270/Q25B0247
					More data for this Ligand-Target Pair