BDBM50098636 1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthencarrb0nyl)-amino]-1-ethyl-piperidinium; iodide::CHEMBL289902

SMILES: CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12

InChI Key: InChIKey=QSZSGNOPAHYALR-ODCIPOBUSA-O

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 = 50098636   

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 1 (Homo sapiens (Human))	BDBM50098636 (1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthen...) Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |t:4,(7.53,2.69,;6.21,1.9,;6.21,.35,;7.56,-.4,;9.14,.28,;10.55,-.32,;11.96,.28,;12.57,1.69,;11.96,3.14,;10.55,3.72,;9.14,3.12,;8.53,1.69,;4.86,1.11,;3.55,.35,;3.45,-1.39,;4.89,-1.96,;6.24,-1.17,;2.1,-2.16,;.88,-1.17,;.88,.35,;-.44,-1.96,;-1.76,-1.17,;-1.76,.35,;-3.11,1.12,;-3.11,2.69,;-4.46,.35,;-4.42,-1.2,;-3.11,-1.96,;-3.14,-3.5,;-1.79,-4.27,;-1.79,-5.79,;-.47,-6.57,;.88,-5.82,;2.2,-6.59,;.88,-4.28,;-.44,-3.5,)| Show InChI InChI=1S/C30H36Br2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.				J Med Chem 44: 1429-35 (2001) BindingDB Entry DOI: 10.7270/Q2G73D0G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Mus musculus)	BDBM50098636 (1-Cyclooct-1-enylmethyl-4-[(2,7-dibromo-9H-xanthen...) Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Br)ccc2Oc2ccc(Br)cc12 |t:4,(7.53,2.69,;6.21,1.9,;6.21,.35,;7.56,-.4,;9.14,.28,;10.55,-.32,;11.96,.28,;12.57,1.69,;11.96,3.14,;10.55,3.72,;9.14,3.12,;8.53,1.69,;4.86,1.11,;3.55,.35,;3.45,-1.39,;4.89,-1.96,;6.24,-1.17,;2.1,-2.16,;.88,-1.17,;.88,.35,;-.44,-1.96,;-1.76,-1.17,;-1.76,.35,;-3.11,1.12,;-3.11,2.69,;-4.46,.35,;-4.42,-1.2,;-3.11,-1.96,;-3.14,-3.5,;-1.79,-4.27,;-1.79,-5.79,;-.47,-6.57,;.88,-5.82,;2.2,-6.59,;.88,-4.28,;-.44,-3.5,)| Show InChI InChI=1S/C30H36Br2N2O2/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3/p+1/b21-8+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.				J Med Chem 44: 1429-35 (2001) BindingDB Entry DOI: 10.7270/Q2G73D0G
					More data for this Ligand-Target Pair