BDBM50263853 CHEMBL4063675

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

InChI Key: InChIKey=GOBOQUBZDOONLG-RYRHILDHSA-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 = 50263853   

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))	BDBM50263853 (CHEMBL4063675) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C40H52N8O6/c1-4-24(2)34-39(54)47(3)32(11-7-19-43-40(41)42)36(51)45-31(23-26-13-16-27-9-5-6-10-28(27)21-26)38(53)48-20-8-12-33(48)37(52)44-30(35(50)46-34)22-25-14-17-29(49)18-15-25/h5-6,9-10,13-18,21,24,30-34,49H,4,7-8,11-12,19-20,22-23H2,1-3H3,(H,44,52)(H,45,51)(H,46,50)(H4,41,42,43)/t24-,30+,31-,32-,33-,34-/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))	BDBM50263853 (CHEMBL4063675) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C40H52N8O6/c1-4-24(2)34-39(54)47(3)32(11-7-19-43-40(41)42)36(51)45-31(23-26-13-16-27-9-5-6-10-28(27)21-26)38(53)48-20-8-12-33(48)37(52)44-30(35(50)46-34)22-25-14-17-29(49)18-15-25/h5-6,9-10,13-18,21,24,30-34,49H,4,7-8,11-12,19-20,22-23H2,1-3H3,(H,44,52)(H,45,51)(H,46,50)(H4,41,42,43)/t24-,30+,31-,32-,33-,34-/m0/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