BDBM50263985 CHEMBL4078445

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1csc3ccccc13)NC2=O

InChI Key: InChIKey=YTPXYIVSJNRZCQ-VLGXOXMCSA-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 = 50263985   

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))	BDBM50263985 (CHEMBL4078445) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1csc3ccccc13)NC2=O |r| Show InChI InChI=1S/C42H52N10O6S/c1-51-33(13-7-19-47-42(45)58)37(54)50-32(22-25-16-17-26-9-2-3-10-27(26)21-25)40(57)52-20-8-14-34(52)38(55)49-31(23-28-24-59-35-15-5-4-11-29(28)35)36(53)48-30(39(51)56)12-6-18-46-41(43)44/h2-5,9-11,15-17,21,24,30-34H,6-8,12-14,18-20,22-23H2,1H3,(H,48,53)(H,49,55)(H,50,54)(H4,43,44,46)(H3,45,47,58)/t30-,31+,32-,33-,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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))	BDBM50263985 (CHEMBL4078445) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1csc3ccccc13)NC2=O |r| Show InChI InChI=1S/C42H52N10O6S/c1-51-33(13-7-19-47-42(45)58)37(54)50-32(22-25-16-17-26-9-2-3-10-27(26)21-25)40(57)52-20-8-14-34(52)38(55)49-31(23-28-24-59-35-15-5-4-11-29(28)35)36(53)48-30(39(51)56)12-6-18-46-41(43)44/h2-5,9-11,15-17,21,24,30-34H,6-8,12-14,18-20,22-23H2,1H3,(H,48,53)(H,49,55)(H,50,54)(H4,43,44,46)(H3,45,47,58)/t30-,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