BDBM50250391 CHEMBL4064492

SMILES: CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O

InChI Key: InChIKey=OUJISXAHLSHELI-OTATWJLXSA-N

Data: 2 KI

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 = 50250391   

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 (Homo sapiens (Human))	BDBM50250391 (CHEMBL4064492) Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C51H58N8O6S/c1-57-45(31-40-34-66-35-53-40)48(62)56-43(30-39-22-12-26-52-32-39)50(64)59-28-14-25-44(59)51(65)58(27-13-23-37-17-7-3-8-18-37)33-46(60)54-41(24-11-21-36-15-5-2-6-16-36)47(61)55-42(49(57)63)29-38-19-9-4-10-20-38/h2-10,12,15-20,22,26,32,34-35,41-45H,11,13-14,21,23-25,27-31,33H2,1H3,(H,54,60)(H,55,61)(H,56,62)/t41-,42+,43-,44+,45-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7) (Homo sapiens (Human))	BDBM50250391 (CHEMBL4064492) Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O |r| Show InChI InChI=1S/C51H58N8O6S/c1-57-45(31-40-34-66-35-53-40)48(62)56-43(30-39-22-12-26-52-32-39)50(64)59-28-14-25-44(59)51(65)58(27-13-23-37-17-7-3-8-18-37)33-46(60)54-41(24-11-21-36-15-5-2-6-16-36)47(61)55-42(49(57)63)29-38-19-9-4-10-20-38/h2-10,12,15-20,22,26,32,34-35,41-45H,11,13-14,21,23-25,27-31,33H2,1H3,(H,54,60)(H,55,61)(H,56,62)/t41-,42+,43-,44+,45-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...				J Med Chem 60: 9653-9663 (2017) Article DOI: 10.1021/acs.jmedchem.7b01028 BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
					More data for this Ligand-Target Pair