Compile Data Set for Download or QSAR

Found 428 hits with Last Name = 'pon' and Initial = 'd'   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50474150 (CHEMBL58362) Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand				J Med Chem 45: 1949-56 (2002) Article DOI: 10.1021/jm010576e BindingDB Entry DOI: 10.7270/Q2WS8X0T
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240887 (CHEMBL4066731) Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 |r| Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240900 (CHEMBL4091620) Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r| Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369931 (CHEMBL4167555) Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369749 (CHEMBL4161993) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369884 (CHEMBL4172413) Show SMILES CS(=O)(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369819 (CHEMBL4163666) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369730 (CHEMBL4164109) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C25H27N3O3S/c26-32(30,31)24-13-11-22(12-14-24)25(29)28-16-15-27(18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,26,30,31)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369825 (CHEMBL4171305) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)28-15-16-29(25(30)18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369731 (CHEMBL4161747) Show SMILES CC(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)22-11-12-23(18(14-22)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369819 (CHEMBL4163666) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240888 (CHEMBL4094256) Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1 |r| Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50474150 (CHEMBL58362) Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand				J Med Chem 45: 1949-56 (2002) Article DOI: 10.1021/jm010576e BindingDB Entry DOI: 10.7270/Q2WS8X0T
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369750 (CHEMBL4167883) Show SMILES CC(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240881 (CHEMBL4090712) Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r| Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand				J Med Chem 45: 1949-56 (2002) Article DOI: 10.1021/jm010576e BindingDB Entry DOI: 10.7270/Q2WS8X0T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369934 (CHEMBL4175825) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369986 (CHEMBL4171956) Show SMILES CN1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369934 (CHEMBL4175825) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240885 (CHEMBL4064010) Show SMILES O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12 |r| Show InChI InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369931 (CHEMBL4167555) Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369889 (CHEMBL4164457) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25N3O4S/c26-33(31,32)23-13-11-21(12-14-23)24(29)27-15-16-28(25(30)20-9-5-2-6-10-20)22(18-27)17-19-7-3-1-4-8-19/h1-14,22H,15-18H2,(H2,26,31,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240890 (CHEMBL4078647) Show SMILES Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1 Show InChI InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369883 (CHEMBL4160707) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN[C@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369819 (CHEMBL4163666) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369886 (CHEMBL4169920) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369931 (CHEMBL4167555) Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369875 (CHEMBL4171554) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240884 (CHEMBL4085572) Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 |r| Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369879 (CHEMBL4168600) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCNC[C@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369880 (CHEMBL4165548) Show SMILES CS(=O)(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)22-12-11-21(14-17(22)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369872 (CHEMBL4169677) Show SMILES CC(=O)N1CCN([C@@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)22-11-12-23(18(14-22)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240882 (CHEMBL4063837) Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 |r| Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369749 (CHEMBL4161993) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369873 (CHEMBL4172778) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)26-15-16-27(34(31,32)23-9-5-2-6-10-23)21(18-26)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369825 (CHEMBL4171305) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)28-15-16-29(25(30)18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369875 (CHEMBL4171554) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369825 (CHEMBL4171305) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)28-15-16-29(25(30)18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50240879 (CHEMBL4089073) Show SMILES Clc1cccc(COc2cc(=O)n3ccccc3n2)c1 Show InChI InChI=1S/C15H11ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiba University Curated by ChEMBL					Assay Description Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand				J Med Chem 45: 1949-56 (2002) Article DOI: 10.1021/jm010576e BindingDB Entry DOI: 10.7270/Q2WS8X0T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369884 (CHEMBL4172413) Show SMILES CS(=O)(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369986 (CHEMBL4171956) Show SMILES CN1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369887 (CHEMBL4166970) Show SMILES CC(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369934 (CHEMBL4175825) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369872 (CHEMBL4169677) Show SMILES CC(=O)N1CCN([C@@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)22-11-12-23(18(14-22)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369927 (CHEMBL4167967) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@@H]1Cc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O5S2/c25-33(29,30)22-13-11-20(12-14-22)24(28)27-16-15-26(34(31,32)23-9-5-2-6-10-23)18-21(27)17-19-7-3-1-4-8-19/h1-14,21H,15-18H2,(H2,25,29,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50369885 (CHEMBL4173083) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25N3O4S/c26-33(31,32)23-13-11-21(12-14-23)25(30)28-16-15-27(24(29)20-9-5-2-6-10-20)18-22(28)17-19-7-3-1-4-8-19/h1-14,22H,15-18H2,(H2,26,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50369880 (CHEMBL4165548) Show SMILES CS(=O)(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)22-12-11-21(14-17(22)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369886 (CHEMBL4169920) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C25H26N4O6S2/c26-36(32,33)22-10-6-19(7-11-22)24(30)28-14-15-29(21(17-28)16-18-4-2-1-3-5-18)25(31)20-8-12-23(13-9-20)37(27,34)35/h1-13,21H,14-17H2,(H2,26,32,33)(H2,27,34,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50369879 (CHEMBL4168600) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCNC[C@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-13-16(21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba...				Eur J Med Chem 151: 363-375 (2018) Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC
					More data for this Ligand-Target Pair

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