BDBM50263990 CHEMBL4064038

SMILES: [H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O

InChI Key: InChIKey=LQUQSRPELHEVFP-FUDVOFFMSA-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 = 50263990   

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))	BDBM50263990 (CHEMBL4064038) Show SMILES [H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C42H58N10O7/c1-5-25(2)35-38(56)49-32(23-26-15-18-30(53)19-16-26)36(54)48-31(12-8-20-46-41(43)44)39(57)51(3)34(13-9-21-47-42(45)59)37(55)50-33(40(58)52(35)4)24-27-14-17-28-10-6-7-11-29(28)22-27/h6-7,10-11,14-19,22,25,31-35,53H,5,8-9,12-13,20-21,23-24H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H4,43,44,46)(H3,45,47,59)/t25-,31-,32+,33-,34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50263990 (CHEMBL4064038) Show SMILES [H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C42H58N10O7/c1-5-25(2)35-38(56)49-32(23-26-15-18-30(53)19-16-26)36(54)48-31(12-8-20-46-41(43)44)39(57)51(3)34(13-9-21-47-42(45)59)37(55)50-33(40(58)52(35)4)24-27-14-17-28-10-6-7-11-29(28)22-27/h6-7,10-11,14-19,22,25,31-35,53H,5,8-9,12-13,20-21,23-24H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H4,43,44,46)(H3,45,47,59)/t25-,31-,32+,33-,34-,35-/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