BDBM50264054 CHEMBL4095797

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O

InChI Key: InChIKey=DWZOJIGWAWDPSO-RTMXLORFSA-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 = 50264054   

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 (Homo sapiens (Human))	BDBM50264054 (CHEMBL4095797) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C39H51N11O6/c1-49-31(8-4-17-44-38(40)41)34(53)48-30(22-24-10-13-25-6-2-3-7-26(25)20-24)37(56)50-19-5-9-32(50)35(54)47-29(21-23-11-14-27(51)15-12-23)33(52)46-28(36(49)55)16-18-45-39(42)43/h2-3,6-7,10-15,20,28-32,51H,4-5,8-9,16-19,21-22H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50264054 (CHEMBL4095797) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C39H51N11O6/c1-49-31(8-4-17-44-38(40)41)34(53)48-30(22-24-10-13-25-6-2-3-7-26(25)20-24)37(56)50-19-5-9-32(50)35(54)47-29(21-23-11-14-27(51)15-12-23)33(52)46-28(36(49)55)16-18-45-39(42)43/h2-3,6-7,10-15,20,28-32,51H,4-5,8-9,16-19,21-22H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31-,32-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair