Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 448.5 BDBM50098623

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 1 (Mus musculus)	BDBM50098623 (9H-Xanthene-9-carboxylic acid (1-naphthalen-2-ylme...) Show SMILES O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C30H28N2O2/c33-30(29-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)29)31-24-15-17-32(18-16-24)20-21-13-14-22-7-1-2-8-23(22)19-21/h1-14,19,24,29H,15-18,20H2,(H,31,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50098623 (9H-Xanthene-9-carboxylic acid (1-naphthalen-2-ylme...) Show SMILES O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C30H28N2O2/c33-30(29-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)29)31-24-15-17-32(18-16-24)20-21-13-14-22-7-1-2-8-23(22)19-21/h1-14,19,24,29H,15-18,20H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113085 BindingDB Entry DOI: 10.7270/Q2BC43MB
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50098623 (9H-Xanthene-9-carboxylic acid (1-naphthalen-2-ylme...) Show SMILES O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C30H28N2O2/c33-30(29-25-9-3-5-11-27(25)34-28-12-6-4-10-26(28)29)31-24-15-17-32(18-16-24)20-21-13-14-22-7-1-2-8-23(22)19-21/h1-14,19,24,29H,15-18,20H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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