BDBM50250390 CHEMBL4091635

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C1=O

InChI Key: InChIKey=NAOHACOGOVIZIY-ABPFYNCLSA-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 = 50250390   

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))	BDBM50250390 (CHEMBL4091635) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C51H57N11O6/c52-51(53)54-23-11-21-40-49(67)62-24-12-22-44(62)50(68)61(30-33-15-5-2-6-16-33)31-45(63)57-42(26-34-28-55-38-19-9-7-17-36(34)38)47(65)59-41(25-32-13-3-1-4-14-32)46(64)60-43(48(66)58-40)27-35-29-56-39-20-10-8-18-37(35)39/h1-10,13-20,28-29,40-44,55-56H,11-12,21-27,30-31H2,(H,57,63)(H,58,66)(H,59,65)(H,60,64)(H4,52,53,54)/t40-,41+,42-,43-,44+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	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
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50250390 (CHEMBL4091635) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C51H57N11O6/c52-51(53)54-23-11-21-40-49(67)62-24-12-22-44(62)50(68)61(30-33-15-5-2-6-16-33)31-45(63)57-42(26-34-28-55-38-19-9-7-17-36(34)38)47(65)59-41(25-32-13-3-1-4-14-32)46(64)60-43(48(66)58-40)27-35-29-56-39-20-10-8-18-37(35)39/h1-10,13-20,28-29,40-44,55-56H,11-12,21-27,30-31H2,(H,57,63)(H,58,66)(H,59,65)(H,60,64)(H4,52,53,54)/t40-,41+,42-,43-,44+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	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