Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50250400'   

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))	BDBM50250400 (CHEMBL4076014) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)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/C55H57N9O6/c65-50-35-63(26-12-19-36-14-3-1-4-15-36)55(70)49-24-13-27-64(49)54(69)48(29-38-18-11-25-56-32-38)62-53(68)47(31-40-34-58-44-23-10-8-21-42(40)44)61-51(66)45(28-37-16-5-2-6-17-37)60-52(67)46(59-50)30-39-33-57-43-22-9-7-20-41(39)43/h1-11,14-18,20-23,25,32-34,45-49,57-58H,12-13,19,24,26-31,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	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))	BDBM50250400 (CHEMBL4076014) Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)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/C55H57N9O6/c65-50-35-63(26-12-19-36-14-3-1-4-15-36)55(70)49-24-13-27-64(49)54(69)48(29-38-18-11-25-56-32-38)62-53(68)47(31-40-34-58-44-23-10-8-21-42(40)44)61-51(66)45(28-37-16-5-2-6-17-37)60-52(67)46(59-50)30-39-33-57-43-22-9-7-20-41(39)43/h1-11,14-18,20-23,25,32-34,45-49,57-58H,12-13,19,24,26-31,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79.4	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