BDBM50264051 CHEMBL4061399

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O

InChI Key: InChIKey=DOUFOYKHURLJMT-MEBUQTMISA-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 = 50264051   

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))	BDBM50264051 (CHEMBL4061399) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C45H51N9O6/c1-53-38(12-6-20-48-45(46)47)41(57)52-36(24-28-14-17-29-8-2-3-9-30(29)22-28)44(60)54-21-7-13-39(54)42(58)50-35(23-27-15-18-32(55)19-16-27)40(56)51-37(43(53)59)25-31-26-49-34-11-5-4-10-33(31)34/h2-5,8-11,14-19,22,26,35-39,49,55H,6-7,12-13,20-21,23-25H2,1H3,(H,50,58)(H,51,56)(H,52,57)(H4,46,47,48)/t35-,36+,37+,38+,39+/m1/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))	BDBM50264051 (CHEMBL4061399) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C45H51N9O6/c1-53-38(12-6-20-48-45(46)47)41(57)52-36(24-28-14-17-29-8-2-3-9-30(29)22-28)44(60)54-21-7-13-39(54)42(58)50-35(23-27-15-18-32(55)19-16-27)40(56)51-37(43(53)59)25-31-26-49-34-11-5-4-10-33(31)34/h2-5,8-11,14-19,22,26,35-39,49,55H,6-7,12-13,20-21,23-25H2,1H3,(H,50,58)(H,51,56)(H,52,57)(H4,46,47,48)/t35-,36+,37+,38+,39+/m1/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