Compile Data Set for Download or QSAR

Found 406 hits with Last Name = 'ryder' and Initial = 't'   

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
Ketohexokinase (Homo sapiens (Human))	BDBM319585 (US10174007, Example 4 | US10787438, Example 4 | US...) Show SMILES C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r| Show InChI InChI=1S/C16H19F3N4O2/c1-8-2-3-23(8)15-20-12(16(17,18)19)5-13(21-15)22-6-10-9(4-14(24)25)11(10)7-22/h5,8-11H,2-4,6-7H2,1H3,(H,24,25)/t8-,9-,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed noncompetitive inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00944 BindingDB Entry DOI: 10.7270/Q2QC074M
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264278 (CHEMBL4064803) Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264278 (CHEMBL4064803) Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.94	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.6	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264280 (CHEMBL4084050) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r| Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	13	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50264278 (CHEMBL4064803) Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by membrane-competitive-binding assay				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264280 (CHEMBL4084050) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r| Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	13	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Mus musculus)	BDBM50264280 (CHEMBL4084050) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r| Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	18	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 mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264271 (CHEMBL4086432) Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264271 (CHEMBL4086432) Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3	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 Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264277 (CHEMBL4092499) Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264277 (CHEMBL4092499) Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264304 (CHEMBL4105264) Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Mus musculus)	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	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 mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264304 (CHEMBL4105264) Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50071542 ((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-5-[2-(...) Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)cccc1Cl Show InChI InChI=1S/C20H24Cl2N2O7/c1-10(2)19(23-11(3)25)20(30)24-15(8-17(27)28)16(26)9-31-18(29)7-12-13(21)5-4-6-14(12)22/h4-6,10,15,19H,7-9H2,1-3H3,(H,23,25)(H,24,30)(H,27,28)/t15-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50071543 ((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...) Show SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C20H23Cl3N2O7/c1-9(2)19(24-10(3)26)20(31)25-14(7-16(28)29)15(27)8-32-17(30)6-11-12(21)4-5-13(22)18(11)23/h4-5,9,14,19H,6-8H2,1-3H3,(H,24,26)(H,25,31)(H,28,29)/t14-,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133601 (CHEMBL3633251) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCO Show InChI InChI=1S/C14H16N2O4S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)15-14(21)16(11)5-6-17/h3-4,7-8,17H,5-6H2,1-2H3,(H,15,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133602 (CHEMBL3633250) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCN Show InChI InChI=1S/C14H17N3O3S/c1-19-9-3-4-10(12(7-9)20-2)11-8-13(18)16-14(21)17(11)6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133595 (CHEMBL3633460) Show SMILES COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O Show InChI InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133596 (CHEMBL3633459) Show SMILES COc1ccc(OC)c(c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133603 (CHEMBL3633248) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O Show InChI InChI=1S/C14H15N3O4S/c1-20-8-3-4-9(11(5-8)21-2)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50133600 (CHEMBL3633457) Show SMILES COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCOC(C)C Show InChI InChI=1S/C17H22N2O4S/c1-11(2)23-8-7-19-14(10-16(20)18-17(19)24)13-6-5-12(21-3)9-15(13)22-4/h5-6,9-11H,7-8H2,1-4H3,(H,18,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin ...				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264248 (CHEMBL4090193) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	501	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264248 (CHEMBL4090193) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	520	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264275 (CHEMBL4095095) Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	730	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264272 (CHEMBL4064969) Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	760	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264300 (CHEMBL4067018) Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	760	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264300 (CHEMBL4067018) Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents 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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264272 (CHEMBL4064969) Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264275 (CHEMBL4095095) Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264276 (CHEMBL4066544) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1 Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	950	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264270 (CHEMBL4088584) Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1 Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	999	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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264270 (CHEMBL4088584) Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1 Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264276 (CHEMBL4066544) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1 Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264274 (CHEMBL4067681) Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264274 (CHEMBL4067681) Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50071541 ((S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpr...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C22H23NO7/c24-19(15-29-21(27)12-11-16-7-3-1-4-8-16)18(13-20(25)26)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)(H,25,26)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was tested for binding affinity against N-His (D381E) Interleukin -1 beta converting enzyme				Bioorg Med Chem Lett 8: 2309-14 (1999) BindingDB Entry DOI: 10.7270/Q2F47N9K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50264279 (CHEMBL4072602) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>6.20E+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 CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264281 (CHEMBL4061464) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1 Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.94E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264281 (CHEMBL4061464) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1 Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264269 (CHEMBL4075306) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>9.70E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264269 (CHEMBL4075306) Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1 Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50264280 (CHEMBL4084050) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r| Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264247 (CHEMBL4103538) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264247 (CHEMBL4103538) Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.26E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50264273 (CHEMBL4087410) Show SMILES Cn1ncc2cccc(N3CCCN(Cc4csc(n4)-c4ccccc4)CC3)c12 Show InChI InChI=1S/C23H25N5S/c1-26-22-19(15-24-26)9-5-10-21(22)28-12-6-11-27(13-14-28)16-20-17-29-23(25-20)18-7-3-2-4-8-18/h2-5,7-10,15,17H,6,11-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.99E+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 CHO-K1 cell membranes after 2 hrs by scintillation counting method				J Med Chem 61: 3685-3696 (2018) Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4
					More data for this Ligand-Target Pair

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