Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50000910   

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))	BDBM50092206 (CHEMBL3581276) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50092206 (CHEMBL3581276) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC2=O |r| Show InChI InChI=1S/C40H53N11O6/c1-50-32(10-5-19-46-40(43)44)35(54)49-31(23-25-12-15-26-7-2-3-8-27(26)21-25)38(57)51-20-6-11-33(51)36(55)48-30(22-24-13-16-28(52)17-14-24)34(53)47-29(37(50)56)9-4-18-45-39(41)42/h2-3,7-8,12-17,21,29-33,52H,4-6,9-11,18-20,22-23H2,1H3,(H,47,53)(H,48,55)(H,49,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264003 (CHEMBL4093348) Show SMILES CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N(C)[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O |r| Show InChI InChI=1S/C49H58N10O7/c1-58-41(17-9-25-54-49(52)66)44(62)57-40(28-31-18-21-32-10-3-4-12-34(32)26-31)47(65)59(2)42(29-35-14-7-13-33-11-5-6-15-37(33)35)45(63)56-39(27-30-19-22-36(60)23-20-30)43(61)55-38(46(58)64)16-8-24-53-48(50)51/h3-7,10-15,18-23,26,38-42,60H,8-9,16-17,24-25,27-29H2,1-2H3,(H,55,61)(H,56,63)(H,57,62)(H4,50,51,53)(H3,52,54,66)/t38-,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 ...				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair