BDBM50263942 CHEMBL4059514

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](Cc1ccc(cc1)[N+]([O-])=O)NC2=O

InChI Key: InChIKey=YZFGOJPPWBYOSZ-WUXKFAKNSA-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 = 50263942   

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 4 (Homo sapiens (Human))	BDBM50263942 (CHEMBL4059514) 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](Cc1ccc(cc1)[N+]([O-])=O)NC2=O |r| Show InChI InChI=1S/C40H51N11O8/c1-49-32(10-5-19-45-40(43)57)35(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)50-20-6-11-33(50)36(54)47-30(22-24-13-16-28(17-14-24)51(58)59)34(52)46-29(37(49)55)9-4-18-44-39(41)42/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,41,42,44)(H3,43,45,57)/t29-,30+,31-,32-,33-/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
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50263942 (CHEMBL4059514) 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](Cc1ccc(cc1)[N+]([O-])=O)NC2=O |r| Show InChI InChI=1S/C40H51N11O8/c1-49-32(10-5-19-45-40(43)57)35(53)48-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(56)50-20-6-11-33(50)36(54)47-30(22-24-13-16-28(17-14-24)51(58)59)34(52)46-29(37(49)55)9-4-18-44-39(41)42/h2-3,7-8,12-17,21,29-33H,4-6,9-11,18-20,22-23H2,1H3,(H,46,52)(H,47,54)(H,48,53)(H4,41,42,44)(H3,43,45,57)/t29-,30+,31-,32-,33-/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