BDBM50264005 CHEMBL4062608

SMILES: CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O

InChI Key: InChIKey=RQVLRKYMZVWACJ-RSKNNDJWSA-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 = 50264005   

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))	BDBM50264005 (CHEMBL4062608) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C51H60N10O7/c1-60-43(15-9-27-56-51(54)68)46(64)59-42(30-34-18-23-36-12-6-7-13-38(36)28-34)49(67)61(2)44(31-33-16-21-37(22-17-33)35-10-4-3-5-11-35)47(65)58-41(29-32-19-24-39(62)25-20-32)45(63)57-40(48(60)66)14-8-26-55-50(52)53/h3-7,10-13,16-25,28,40-44,62H,8-9,14-15,26-27,29-31H2,1-2H3,(H,57,63)(H,58,65)(H,59,64)(H4,52,53,55)(H3,54,56,68)/t40-,41+,42-,43-,44-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+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))	BDBM50264005 (CHEMBL4062608) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C51H60N10O7/c1-60-43(15-9-27-56-51(54)68)46(64)59-42(30-34-18-23-36-12-6-7-13-38(36)28-34)49(67)61(2)44(31-33-16-21-37(22-17-33)35-10-4-3-5-11-35)47(65)58-41(29-32-19-24-39(62)25-20-32)45(63)57-40(48(60)66)14-8-26-55-50(52)53/h3-7,10-13,16-25,28,40-44,62H,8-9,14-15,26-27,29-31H2,1-2H3,(H,57,63)(H,58,65)(H,59,64)(H4,52,53,55)(H3,54,56,68)/t40-,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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