BDBM50263895 CHEMBL4073931

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

InChI Key: InChIKey=VNLDBIQVDNGTTJ-RKGCBODKSA-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 = 50263895   

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))	BDBM50263895 (CHEMBL4073931) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C43H50N8O7/c1-50-36(8-4-20-46-43(44)45)39(55)49-35(25-28-10-15-29-6-2-3-7-30(29)22-28)42(58)51-21-5-9-37(51)40(56)47-33(23-26-11-16-31(52)17-12-26)38(54)48-34(41(50)57)24-27-13-18-32(53)19-14-27/h2-3,6-7,10-19,22,33-37,52-53H,4-5,8-9,20-21,23-25H2,1H3,(H,47,56)(H,48,54)(H,49,55)(H4,44,45,46)/t33-,34+,35+,36+,37+/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
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50263895 (CHEMBL4073931) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C43H50N8O7/c1-50-36(8-4-20-46-43(44)45)39(55)49-35(25-28-10-15-29-6-2-3-7-30(29)22-28)42(58)51-21-5-9-37(51)40(56)47-33(23-26-11-16-31(52)17-12-26)38(54)48-34(41(50)57)24-27-13-18-32(53)19-14-27/h2-3,6-7,10-19,22,33-37,52-53H,4-5,8-9,20-21,23-25H2,1H3,(H,47,56)(H,48,54)(H,49,55)(H4,44,45,46)/t33-,34+,35+,36+,37+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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