BDBM50264052 CHEMBL4071198

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

InChI Key: InChIKey=YWEINRYHRWHUBI-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 = 50264052   

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))	BDBM50264052 (CHEMBL4071198) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N9O6/c1-48-33(11-6-20-44-40(42)43)36(52)47-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(55)49-21-7-12-34(49)37(53)46-31(23-25-14-17-29(50)18-15-25)35(51)45-30(38(48)54)10-4-5-19-41/h2-3,8-9,13-18,22,30-34,50H,4-7,10-12,19-21,23-24,41H2,1H3,(H,45,51)(H,46,53)(H,47,52)(H4,42,43,44)/t30-,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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50264052 (CHEMBL4071198) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N9O6/c1-48-33(11-6-20-44-40(42)43)36(52)47-32(24-26-13-16-27-8-2-3-9-28(27)22-26)39(55)49-21-7-12-34(49)37(53)46-31(23-25-14-17-29(50)18-15-25)35(51)45-30(38(48)54)10-4-5-19-41/h2-3,8-9,13-18,22,30-34,50H,4-7,10-12,19-21,23-24,41H2,1H3,(H,45,51)(H,46,53)(H,47,52)(H4,42,43,44)/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