BDBM50207536 CHEMBL3929127

SMILES: NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O

InChI Key: InChIKey=KPDKGUVBBDLHIA-IRQNMHNUSA-N

Data: 2 EC50

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 = 50207536   

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-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50207536 (CHEMBL3929127) Show SMILES NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O |r| Show InChI InChI=1S/C26H36N8O2S/c27-25(28)31-12-4-9-19-16-37-22-15-33(14-18-8-3-7-17-6-1-2-10-20(17)18)24(36)21(34(22)23(19)35)11-5-13-32-26(29)30/h1-3,6-8,10,19,21-22H,4-5,9,11-16H2,(H4,27,28,31)(H4,29,30,32)/t19?,21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Bergen Curated by ChEMBL					Assay Description Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inos...				Bioorg Med Chem 25: 646-657 (2017) Article DOI: 10.1016/j.bmc.2016.11.036 BindingDB Entry DOI: 10.7270/Q2RV0QPQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50207536 (CHEMBL3929127) Show SMILES NC(=N)NCCCC1CSC2CN(Cc3cccc4ccccc34)C(=O)[C@H](CCCNC(N)=N)N2C1=O |r| Show InChI InChI=1S/C26H36N8O2S/c27-25(28)31-12-4-9-19-16-37-22-15-33(14-18-8-3-7-17-6-1-2-10-20(17)18)24(36)21(34(22)23(19)35)11-5-13-32-26(29)30/h1-3,6-8,10,19,21-22H,4-5,9,11-16H2,(H4,27,28,31)(H4,29,30,32)/t19?,21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Bergen Curated by ChEMBL					Assay Description Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inos...				Bioorg Med Chem 25: 646-657 (2017) Article DOI: 10.1016/j.bmc.2016.11.036 BindingDB Entry DOI: 10.7270/Q2RV0QPQ
					More data for this Ligand-Target Pair