Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50250381'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50250381 (CHEMBL4091646) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C56H58N8O6/c65-51-36-63(28-14-22-37-16-4-1-5-17-37)56(70)50-27-15-29-64(50)55(69)49(31-39-20-8-3-9-21-39)62-54(68)48(33-41-35-58-45-26-13-11-24-43(41)45)61-52(66)46(30-38-18-6-2-7-19-38)60-53(67)47(59-51)32-40-34-57-44-25-12-10-23-42(40)44/h1-13,16-21,23-26,34-35,46-50,57-58H,14-15,22,27-33,36H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t46-,47+,48+,49+,50-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	774	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
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50250381 (CHEMBL4091646) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C56H58N8O6/c65-51-36-63(28-14-22-37-16-4-1-5-17-37)56(70)50-27-15-29-64(50)55(69)49(31-39-20-8-3-9-21-39)62-54(68)48(33-41-35-58-45-26-13-11-24-43(41)45)61-52(66)46(30-38-18-6-2-7-19-38)60-53(67)47(59-51)32-40-34-57-44-25-12-10-23-42(40)44/h1-13,16-21,23-26,34-35,46-50,57-58H,14-15,22,27-33,36H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t46-,47+,48+,49+,50-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	794	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