BDBM50263855 CHEMBL4101715

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

InChI Key: InChIKey=MKXADBVXOLKOMO-WUXKFAKNSA-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 = 50263855   

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))	BDBM50263855 (CHEMBL4101715) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C39H50N8O6S/c1-46-32(9-5-18-42-39(40)41)35(50)45-31(23-25-11-14-26-7-3-4-8-27(26)21-25)38(53)47-19-6-10-33(47)36(51)44-30(22-24-12-15-28(48)16-13-24)34(49)43-29(37(46)52)17-20-54-2/h3-4,7-8,11-16,21,29-33,48H,5-6,9-10,17-20,22-23H2,1-2H3,(H,43,49)(H,44,51)(H,45,50)(H4,40,41,42)/t29-,30+,31-,32-,33-/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))	BDBM50263855 (CHEMBL4101715) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C39H50N8O6S/c1-46-32(9-5-18-42-39(40)41)35(50)45-31(23-25-11-14-26-7-3-4-8-27(26)21-25)38(53)47-19-6-10-33(47)36(51)44-30(22-24-12-15-28(48)16-13-24)34(49)43-29(37(46)52)17-20-54-2/h3-4,7-8,11-16,21,29-33,48H,5-6,9-10,17-20,22-23H2,1-2H3,(H,43,49)(H,44,51)(H,45,50)(H4,40,41,42)/t29-,30+,31-,32-,33-/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