Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'ribe' and Initial = 's'   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair				3D Structure (crystal)
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175173 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL10(IP-10)-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371827 (CHEMBL256227) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C19H31NO2/c1-5-13-22-19(16-10-8-11-18(14-16)21-4)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17H,5-7,9,12-13,15H2,1-4H3/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371825 (CHEMBL404197) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OCC1CC1 Show InChI InChI=1S/C20H31NO2/c1-21(2)14-18-7-4-5-12-20(18,23-15-16-10-11-16)17-8-6-9-19(13-17)22-3/h6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-3H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554708 (CHEMBL4746493) Show SMILES ON(CCc1nnn2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554707 (CHEMBL4751248) Show SMILES ON(CCn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554702 (CHEMBL4776055) Show SMILES ON(CCn1ccc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r| Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371815 (CHEMBL402116) Show SMILES CNC[C@H]1CCCC[C@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175193 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCCCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C32H36Cl3N5O3/c1-2-3-13-37-32(43)40-16-5-15-39(17-18-40)29-11-9-24(20-28(29)38-31(42)23-6-4-7-25(33)19-23)30(41)36-14-12-22-8-10-26(34)21-27(22)35/h4,6-11,19-21H,2-3,5,12-18H2,1H3,(H,36,41)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371832 (CHEMBL270642) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(18)11-13/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175173 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175176 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-fluor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-24(33)17-21)28(39)35-12-11-20-7-9-23(31)19-25(20)32/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175168 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CC(C)NC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C31H34Cl3N5O3/c1-20(2)36-31(42)39-14-4-13-38(15-16-39)28-10-8-23(18-27(28)37-30(41)22-5-3-6-24(32)17-22)29(40)35-12-11-21-7-9-25(33)19-26(21)34/h3,5-10,17-20H,4,11-16H2,1-2H3,(H,35,40)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175183 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C31H34Cl3N5O3/c1-2-12-36-31(42)39-15-4-14-38(16-17-39)28-10-8-23(19-27(28)37-30(41)22-5-3-6-24(32)18-22)29(40)35-13-11-21-7-9-25(33)20-26(21)34/h3,5-10,18-20H,2,4,11-17H2,1H3,(H,35,40)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554703 (CHEMBL4798753) Show SMILES ON(CCCc1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554700 (CHEMBL4786538) Show SMILES ON(CCn1ncc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175187 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-benzamid...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-10-23(19-26(27)35-29(39)22-7-4-3-5-8-22)28(38)34-14-13-21-9-11-24(31)20-25(21)32/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175170 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-cyano...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)C#N)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C31H32Cl2N6O3/c1-2-35-31(42)39-14-4-13-38(15-16-39)28-10-8-24(29(40)36-12-11-22-7-9-25(32)19-26(22)33)18-27(28)37-30(41)23-6-3-5-21(17-23)20-34/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,35,42)(H,36,40)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371814 (CHEMBL407563) Show SMILES CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1 Show InChI InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371831 (CHEMBL270570) Show SMILES CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C19H31NO2/c1-4-5-13-22-19(16-10-8-11-18(21)14-16)12-7-6-9-17(19)15-20(2)3/h8,10-11,14,17,21H,4-7,9,12-13,15H2,1-3H3/t17-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175173 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl3N5O3/c1-2-34-30(41)38-14-4-13-37(15-16-38)27-10-8-22(18-26(27)36-29(40)21-5-3-6-23(31)17-21)28(39)35-12-11-20-7-9-24(32)19-25(20)33/h3,5-10,17-19H,2,4,11-16H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-induced CXCR3 mediated T-cell migration				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371826 (CHEMBL258140) Show SMILES CCCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C20H33NO2/c1-5-6-14-23-20(17-11-9-12-19(15-17)22-4)13-8-7-10-18(20)16-21(2)3/h9,11-12,15,18H,5-8,10,13-14,16H2,1-4H3/t18-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175178 (4-(4-((4-chlorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-4-15-36(17-18-37)27-12-9-23(28(38)34-14-13-21-7-10-24(31)11-8-21)20-26(27)35-29(39)22-5-3-6-25(32)19-22/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371822 (CHEMBL255768) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCC1CC1)c1cccc(O)c1 Show InChI InChI=1S/C19H29NO2/c1-20(2)13-17-6-3-4-11-19(17,22-14-15-9-10-15)16-7-5-8-18(21)12-16/h5,7-8,12,15,17,21H,3-4,6,9-11,13-14H2,1-2H3/t17-,19+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175169 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccs1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-13-4-12-34(14-15-35)24-9-7-20(17-23(24)33-27(37)25-5-3-16-39-25)26(36)32-11-10-19-6-8-21(29)18-22(19)30/h3,5-9,16-18H,2,4,10-15H2,1H3,(H,31,38)(H,32,36)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371824 (CHEMBL272063) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO2/c1-4-20-17(14-9-7-10-16(19)12-14)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3/t15-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371828 (CHEMBL272533) Show SMILES COc1cccc(c1)[C@]1(CCCC[C@@H]1CN(C)C)OC Show InChI InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-6-11-17(15,20-4)14-9-7-10-16(12-14)19-3/h7,9-10,12,15H,5-6,8,11,13H2,1-4H3/t15-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554704 (CHEMBL4755244) Show SMILES ON(CCN1C(=O)Cc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175185 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-metho...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(OC)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C31H35Cl2N5O4/c1-3-34-31(41)38-15-5-14-37(16-17-38)28-11-9-23(29(39)35-13-12-21-8-10-24(32)20-26(21)33)19-27(28)36-30(40)22-6-4-7-25(18-22)42-2/h4,6-11,18-20H,3,5,12-17H2,1-2H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50371833 (CHEMBL403388) Show SMILES CCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(OC)c1 Show InChI InChI=1S/C18H29NO2/c1-5-21-18(15-10-8-11-17(13-15)20-4)12-7-6-9-16(18)14-19(2)3/h8,10-11,13,16H,5-7,9,12,14H2,1-4H3/t16-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371823 (CHEMBL270786) Show SMILES CCCO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO2/c1-4-12-21-18(15-9-7-10-17(20)13-15)11-6-5-8-16(18)14-19(2)3/h7,9-10,13,16,20H,4-6,8,11-12,14H2,1-3H3/t16-,18+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175164 (4-(4-((2-chlorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-11-23(28(38)34-14-13-21-7-3-4-10-25(21)32)20-26(27)35-29(39)22-8-5-9-24(31)19-22/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50371820 (CHEMBL257264) Show SMILES CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1 Show InChI InChI=1S/C17H27NO3/c1-18(2)13-15-6-3-4-9-17(15,21-11-10-19)14-7-5-8-16(20)12-14/h5,7-8,12,15,19-20H,3-4,6,9-11,13H2,1-2H3/t15-,17+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175161 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(4-fluor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-15-3-14-37(16-17-38)27-11-7-22(18-26(27)36-29(40)21-5-9-24(33)10-6-21)28(39)35-13-12-20-4-8-23(31)19-25(20)32/h4-11,18-19H,2-3,12-17H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175190 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,5-dif...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cc(F)cc(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-11-3-10-38(12-13-39)27-7-5-20(28(40)36-9-8-19-4-6-22(31)17-25(19)32)16-26(27)37-29(41)21-14-23(33)18-24(34)15-21/h4-7,14-18H,2-3,8-13H2,1H3,(H,35,42)(H,36,40)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175165 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(isonico...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccncc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C29H32Cl2N6O3/c1-2-33-29(40)37-15-3-14-36(16-17-37)26-7-5-22(18-25(26)35-28(39)21-8-11-32-12-9-21)27(38)34-13-10-20-4-6-23(30)19-24(20)31/h4-9,11-12,18-19H,2-3,10,13-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175177 (4-(4-((4-chlorobenzyl)carbamoyl)-2-(3-chlorobenzam...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H31Cl2N5O3/c1-2-32-29(39)36-14-4-13-35(15-16-36)26-12-9-22(27(37)33-19-20-7-10-23(30)11-8-20)18-25(26)34-28(38)21-5-3-6-24(31)17-21/h3,5-12,17-18H,2,4,13-16,19H2,1H3,(H,32,39)(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50554709 (CHEMBL4755307) Show SMILES ON(CCc1nnc2cc(ccn12)C#Cc1ccc(CN2CCOCC2)cc1)C=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115826 BindingDB Entry DOI: 10.7270/Q2C2513C
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175182 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3,4-dif...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccc(F)c(F)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H31Cl2F2N5O3/c1-2-35-30(42)39-13-3-12-38(14-15-39)27-9-6-21(28(40)36-11-10-19-4-7-22(31)18-23(19)32)17-26(27)37-29(41)20-5-8-24(33)25(34)16-20/h4-9,16-18H,2-3,10-15H2,1H3,(H,35,42)(H,36,40)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175192 (4-(4-((3-chlorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(Cl)c1 Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-15-5-14-36(16-17-37)27-11-10-23(28(38)34-13-12-21-6-3-8-24(31)18-21)20-26(27)35-29(39)22-7-4-9-25(32)19-22/h3-4,6-11,18-20H,2,5,12-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175166 (4-(4-((4-fluorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(F)cc1 Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-16-4-15-36(17-18-37)27-12-9-23(28(38)34-14-13-21-7-10-25(32)11-8-21)20-26(27)35-29(39)22-5-3-6-24(31)19-22/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175188 (4-(4-((3-fluorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1cccc(F)c1 Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-15-5-14-36(16-17-37)27-11-10-23(28(38)34-13-12-21-6-3-9-25(32)18-21)20-26(27)35-29(39)22-7-4-8-24(31)19-22/h3-4,6-11,18-20H,2,5,12-17H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175191 (4-(4-((2-fluorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1F Show InChI InChI=1S/C30H33ClFN5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-11-23(28(38)34-14-13-21-7-3-4-10-25(21)32)20-26(27)35-29(39)22-8-5-9-24(31)19-22/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175163 (4-(4-((3,4-dimethoxyphenethyl)carbamoyl)-2-(3-chlo...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1 Show InChI InChI=1S/C32H38ClN5O5/c1-4-34-32(41)38-16-6-15-37(17-18-38)27-11-10-24(21-26(27)36-31(40)23-7-5-8-25(33)20-23)30(39)35-14-13-22-9-12-28(42-2)29(19-22)43-3/h5,7-12,19-21H,4,6,13-18H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175174 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccsc1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-12-3-11-34(13-14-35)25-7-5-20(16-24(25)33-27(37)21-9-15-39-18-21)26(36)32-10-8-19-4-6-22(29)17-23(19)30/h4-7,9,15-18H,2-3,8,10-14H2,1H3,(H,31,38)(H,32,36)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175171 (4-(2-(3-chlorobenzamido)-4-(phenethylcarbamoyl)phe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H34ClN5O3/c1-2-32-30(39)36-17-7-16-35(18-19-36)27-13-12-24(28(37)33-15-14-22-8-4-3-5-9-22)21-26(27)34-29(38)23-10-6-11-25(31)20-23/h3-6,8-13,20-21H,2,7,14-19H2,1H3,(H,32,39)(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50371832 (CHEMBL270642) Show SMILES CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(18)11-13/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50175175 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(2-fluor...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1ccccc1F)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H32Cl2FN5O3/c1-2-34-30(41)38-15-5-14-37(16-17-38)27-11-9-21(18-26(27)36-29(40)23-6-3-4-7-25(23)33)28(39)35-13-12-20-8-10-22(31)19-24(20)32/h3-4,6-11,18-19H,2,5,12-17H2,1H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
					More data for this Ligand-Target Pair

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