Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 900.0 BDBM50244997

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

Found 1 hit 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-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50244997 (CHEMBL4070596) Show SMILES C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1 |r| Show InChI InChI=1S/C39H57N13O8S2/c1-22-31(53)48-26(14-8-16-45-38(41)42)34(56)52-30(37(59)60)21-62-61-20-29(36(58)50-28(35(57)47-22)19-24-12-6-3-7-13-24)51-33(55)27(15-9-17-46-39(43)44)49-32(54)25(40)18-23-10-4-2-5-11-23/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,57)(H,48,53)(H,49,54)(H,50,58)(H,51,55)(H,52,56)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	PDB 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
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex.				J Med Chem 61: 2910-2923 (2018) Article DOI: 10.1021/acs.jmedchem.7b01830 BindingDB Entry DOI: 10.7270/Q2G44SPB
					More data for this Ligand-Target Pair