Compile Data Set for Download or QSAR

Found 944 hits with Last Name = 'hershberger' and Initial = 'p'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50555575 (C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...) Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50238177 (CHEMBL4098072) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1cc(ccn1)-c1[nH]c(SC)nc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H22FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h4-14H,1H2,2-3H3,(H,27,29)(H,28,32)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50555575 (C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...) Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to sigma-1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	434	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50555575 (C-18112003-G | GNS-1480 | GNS1480 | JNJ-73841937-A...) Show SMILES COc1cc(N2CCOCC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-n1cc(CN(C)C)c(n1)-c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	437	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00213 BindingDB Entry DOI: 10.7270/Q2BG2T07
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to 5-HT3 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50440737 (CHEMBL2431120) Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1 Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to PBR receptor (unknown origin)				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of MOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DOR (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50444943 (CHEMBL3099773) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of NTS1 receptor (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50444943 (CHEMBL3099773) Show SMILES COc1cccc(OC)c1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(2.93,-10.42,;4.07,-9.39,;3.75,-7.88,;2.29,-7.41,;1.96,-5.9,;3.1,-4.87,;4.57,-5.34,;5.71,-4.31,;5.39,-2.81,;4.89,-6.85,;6.34,-7.32,;6.82,-8.79,;8.36,-8.78,;8.84,-7.32,;7.59,-6.41,;7.59,-4.87,;6.26,-4.1,;6.26,-2.56,;7.59,-1.79,;8.92,-2.55,;10.25,-1.78,;11.59,-2.54,;12.91,-1.76,;11.59,-4.09,;10.26,-4.86,;8.92,-4.1,;9.27,-10.03,;8.65,-11.43,;10.8,-9.86,;11.71,-11.11,;11.09,-12.51,;12,-13.76,;11.37,-15.17,;13.53,-13.59,;13.24,-10.94,;14.16,-12.18,;13.87,-9.53,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-19(27(34)35)31-26(33)20-14-32(21-10-11-29-18-13-16(28)8-9-17(18)21)25(30-20)24-22(36-3)6-5-7-23(24)37-4/h5-11,13-15,19H,12H2,1-4H3,(H,31,33)(H,34,35)/t19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL 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
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50248035 ((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wD:29.32,(30.54,-1.43,;31.88,-2.19,;31.89,-3.73,;30.56,-4.51,;30.55,-6.06,;31.89,-6.83,;33.22,-6.06,;34.56,-6.82,;34.56,-8.36,;33.22,-4.5,;34.55,-3.73,;35.96,-4.35,;36.99,-3.2,;36.21,-1.87,;34.7,-2.19,;33.56,-1.17,;32.1,-1.66,;30.95,-.64,;31.26,.88,;32.73,1.36,;33.04,2.86,;34.49,3.34,;34.8,4.85,;35.65,2.32,;35.33,.81,;33.87,.33,;38.53,-3.36,;39.15,-4.76,;39.42,-2.1,;40.96,-2.26,;41.59,-3.65,;43.13,-3.81,;43.76,-5.2,;44.02,-2.56,;41.86,-1.01,;43.4,-1.16,;41.24,.4,)| Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-neurotensin from NTR1 (unknown origin)				Bioorg Med Chem Lett 24: 262-7 (2013) Article DOI: 10.1016/j.bmcl.2013.11.026 BindingDB Entry DOI: 10.7270/Q2NV9KQ0
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]-neurotensin from NTR1 in HUVEC after 1 hr by gamma counting analysis				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM85050 (CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...) Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at NTR1 (unknown origin)				J Med Chem 62: 8357-8363 (2019) Article DOI: 10.1021/acs.jmedchem.9b00340 BindingDB Entry DOI: 10.7270/Q2HQ438V
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539483 (CHEMBL4637126) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(cccc2s1)C(F)(F)F |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539483 (CHEMBL4637126) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(cccc2s1)C(F)(F)F |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50440738 (CHEMBL2431105) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:47:37:46:41.44.42,43:38:46:41.44.42,43:42:46:39.38.37,THB:37:38:41:46.44.45,37:45:41:39.38.43,36:37:46:41.44.42,(15.65,-18.65,;16.42,-17.32,;15.65,-15.98,;14.12,-15.98,;13.35,-14.64,;14.12,-13.31,;15.66,-13.32,;16.45,-11.99,;15.69,-10.65,;16.42,-14.66,;17.96,-14.67,;18.44,-16.14,;19.98,-16.13,;20.44,-14.66,;19.21,-13.77,;19.2,-12.24,;17.87,-11.46,;17.87,-9.92,;19.2,-9.15,;20.53,-9.91,;20.53,-11.45,;21.87,-12.22,;23.2,-11.45,;21.87,-13.76,;19.19,-7.61,;17.86,-6.84,;20.52,-6.83,;20.52,-5.29,;21.86,-7.6,;23.19,-6.83,;24.53,-7.6,;25.86,-6.82,;27.2,-7.59,;25.86,-5.28,;20.89,-17.37,;20.27,-18.78,;22.42,-17.2,;23.33,-18.45,;24.37,-19.55,;23.6,-20.77,;22.31,-21.33,;22.32,-23.09,;23.12,-21.75,;24.52,-21.18,;22.02,-20.6,;21.92,-18.99,;21.27,-20.27,;24.86,-18.28,;25.77,-19.52,;25.48,-16.87,)| Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin assessed as inhibition of ML314-induced effect ...				ACS Med Chem Lett 4: 846-851 (2013) Article DOI: 10.1021/ml400176n BindingDB Entry DOI: 10.7270/Q2959JZQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539482 (CHEMBL4638895) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(Br)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30BrN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Rattus norvegicus)	BDBM50248034 (2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...) Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:38:37:35:31.32.33,39:29:35:31.32.33,28:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,39:29:31.38.32:36.34.35,28:29:35:31.32.33,33:32:29:36.34.35,33:34:29:31.38.32,(-7.63,.4,;-6.3,-.36,;-6.29,-1.9,;-7.62,-2.68,;-7.62,-4.22,;-6.29,-4.99,;-4.95,-4.22,;-3.61,-4.99,;-3.61,-6.53,;-4.95,-2.67,;-3.63,-1.9,;-2.22,-2.52,;-1.19,-1.37,;-1.97,-.04,;-3.47,-.36,;-4.62,.66,;-6.08,.17,;-7.22,1.19,;-6.91,2.71,;-5.45,3.19,;-5.14,4.69,;-3.68,5.16,;-3.37,6.67,;-2.53,4.14,;-2.85,2.64,;-4.31,2.16,;.35,-1.53,;.98,-2.93,;1.24,-.27,;2.78,-.43,;3.43,1.2,;4.84,1.23,;6.02,2.07,;5.46,3.5,;3.95,3.52,;2.87,2.58,;3.44,1.99,;4.02,.52,;5.54,.51,;3.42,-1.84,;2.51,-3.09,;4.95,-2,)| Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Displacement of [125I]neurotensin from rat brain NTR1				J Med Chem 62: 8357-8363 (2019) Article DOI: 10.1021/acs.jmedchem.9b00340 BindingDB Entry DOI: 10.7270/Q2HQ438V
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539479 (CHEMBL4632425) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(F)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30FN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539449 (CHEMBL4647701) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cccc(Cl)c1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-20-9-5-8-19(27)24(20)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539475 (CHEMBL4646120) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(Cl)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539451 (CHEMBL4646569) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cc(Cl)ccc1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-11-16(27)7-8-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539457 (CHEMBL4645971) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539440 (CHEMBL4640388) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1Br |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32BrN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539450 (CHEMBL4648997) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccc(Cl)cc1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-8-7-16(27)11-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539476 (CHEMBL4641681) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2cc(Cl)ccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-11-16(27)7-8-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539480 (CHEMBL4639692) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(C)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H33N3O4S/c1-16-7-5-10-23-25(16)29-24(35-23)15-30-19-8-6-9-20(30)14-18(13-19)28-27(31)17-11-21(32-2)26(34-4)22(12-17)33-3/h5,7,10-12,18-20H,6,8-9,13-15H2,1-4H3,(H,28,31)/t18-,19-,20+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539478 (CHEMBL4638493) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2cccc(Cl)c2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-21-10-15(11-22(33-2)24(21)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-20-9-5-8-19(27)25(20)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539477 (CHEMBL4640319) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2ccc(Cl)cc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)26(31)28-17-12-18-5-4-6-19(13-17)30(18)14-24-29-20-8-7-16(27)11-23(20)35-24/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,28,31)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539470 (CHEMBL4642230) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2ccccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31N3O4S/c1-31-21-11-16(12-22(32-2)25(21)33-3)26(30)27-17-13-18-7-6-8-19(14-17)29(18)15-24-28-20-9-4-5-10-23(20)34-24/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,27,30)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539454 (CHEMBL4647206) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-22-7-15(8-23(35-2)25(22)36-3)26(33)30-19-12-20-5-4-6-21(13-19)31(20)14-24(32)29-18-10-16(27)9-17(28)11-18/h7-11,19-21H,4-6,12-14H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539453 (CHEMBL4649351) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)30-17-11-18-5-4-6-19(12-17)31(18)14-24(32)29-16-7-8-20(27)21(28)13-16/h7-10,13,17-19H,4-6,11-12,14H2,1-3H3,(H,29,32)(H,30,33)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539446 (CHEMBL4645763) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cccc(Br)c1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32BrN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539445 (CHEMBL4635707) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cccc(Cl)c1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32ClN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539449 (CHEMBL4647701) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cccc(Cl)c1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-21-10-15(11-22(35-2)25(21)36-3)26(33)29-16-12-17-6-4-7-18(13-16)31(17)14-23(32)30-20-9-5-8-19(27)24(20)28/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,29,33)(H,30,32)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of forskolin-induced cAMP accumulation by DiscoveRx cell based assa...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539483 (CHEMBL4637126) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(cccc2s1)C(F)(F)F |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H30F3N3O4S/c1-35-20-10-15(11-21(36-2)25(20)37-3)26(34)31-16-12-17-6-4-7-18(13-16)33(17)14-23-32-24-19(27(28,29)30)8-5-9-22(24)38-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,31,34)/t16-,17-,18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of forskolin-induced cAMP accumulation by DiscoveRx cell based assa...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539455 (CHEMBL4639114) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cc(C)ccc1C |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C28H37N3O5/c1-17-9-10-18(2)23(11-17)30-26(32)16-31-21-7-6-8-22(31)15-20(14-21)29-28(33)19-12-24(34-3)27(36-5)25(13-19)35-4/h9-13,20-22H,6-8,14-16H2,1-5H3,(H,29,33)(H,30,32)/t20-,21-,22+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539437 (CHEMBL4644133) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1F |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32FN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539441 (CHEMBL4639996) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1C(F)(F)F |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H32F3N3O5/c1-36-22-11-16(12-23(37-2)25(22)38-3)26(35)31-17-13-18-7-6-8-19(14-17)33(18)15-24(34)32-21-10-5-4-9-20(21)27(28,29)30/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,31,35)(H,32,34)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539451 (CHEMBL4646569) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cc(Cl)ccc1Cl |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H31Cl2N3O5/c1-34-22-9-15(10-23(35-2)25(22)36-3)26(33)29-17-12-18-5-4-6-19(13-17)31(18)14-24(32)30-21-11-16(27)7-8-20(21)28/h7-11,17-19H,4-6,12-14H2,1-3H3,(H,29,33)(H,30,32)/t17-,18-,19+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of forskolin-induced cAMP accumulation by DiscoveRx cell based assa...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539438 (CHEMBL4640657) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1ccccc1C |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C27H35N3O5/c1-17-8-5-6-11-22(17)29-25(31)16-30-20-9-7-10-21(30)15-19(14-20)28-27(32)18-12-23(33-2)26(35-4)24(13-18)34-3/h5-6,8,11-13,19-21H,7,9-10,14-16H2,1-4H3,(H,28,32)(H,29,31)/t19-,20-,21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539444 (CHEMBL4640101) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2CC(=O)Nc1cccc(F)c1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H32FN3O5/c1-33-22-10-16(11-23(34-2)25(22)35-3)26(32)29-19-13-20-8-5-9-21(14-19)30(20)15-24(31)28-18-7-4-6-17(27)12-18/h4,6-7,10-12,19-21H,5,8-9,13-15H2,1-3H3,(H,28,31)(H,29,32)/t19-,20-,21+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126899 BindingDB Entry DOI: 10.7270/Q2K077T6
					More data for this Ligand-Target Pair

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