BDBM50263973 CHEMBL4088071

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

InChI Key: InChIKey=YEKRTIDIENWFBB-WUWJBHAQSA-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 = 50263973   

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 7 (CXCR7) (Homo sapiens (Human))	BDBM50263973 (CHEMBL4088071) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C37H46N8O6S/c1-44-30(8-4-16-40-37(38)39)33(48)42-28(20-23-10-13-24-6-2-3-7-25(24)18-23)36(51)45-17-5-9-31(45)34(49)41-27(19-22-11-14-26(46)15-12-22)32(47)43-29(21-52)35(44)50/h2-3,6-7,10-15,18,27-31,46,52H,4-5,8-9,16-17,19-21H2,1H3,(H,41,49)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30+,31+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50263973 (CHEMBL4088071) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C37H46N8O6S/c1-44-30(8-4-16-40-37(38)39)33(48)42-28(20-23-10-13-24-6-2-3-7-25(24)18-23)36(51)45-17-5-9-31(45)34(49)41-27(19-22-11-14-26(46)15-12-22)32(47)43-29(21-52)35(44)50/h2-3,6-7,10-15,18,27-31,46,52H,4-5,8-9,16-17,19-21H2,1H3,(H,41,49)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30+,31+/m1/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