Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3' and Ligand = 'BDBM50250396'   

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))	BDBM50250396 (CHEMBL4088926) Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC1=O |r| Show InChI InChI=1S/C51H63N7O6/c1-51(2,3)33-43-48(62)55-42(32-39-24-14-28-52-34-39)49(63)58-30-16-27-44(58)50(64)57(29-15-25-37-19-9-5-10-20-37)35-45(59)53-40(26-13-23-36-17-7-4-8-18-36)46(60)54-41(47(61)56-43)31-38-21-11-6-12-22-38/h4-12,14,17-22,24,28,34,40-44H,13,15-16,23,25-27,29-33,35H2,1-3H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t40-,41+,42-,43-,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50250396 (CHEMBL4088926) Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC1=O |r| Show InChI InChI=1S/C51H63N7O6/c1-51(2,3)33-43-48(62)55-42(32-39-24-14-28-52-34-39)49(63)58-30-16-27-44(58)50(64)57(29-15-25-37-19-9-5-10-20-37)35-45(59)53-40(26-13-23-36-17-7-4-8-18-36)46(60)54-41(47(61)56-43)31-38-21-11-6-12-22-38/h4-12,14,17-22,24,28,34,40-44H,13,15-16,23,25-27,29-33,35H2,1-3H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t40-,41+,42-,43-,44+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	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