Compile Data Set for Download or QSAR

Found 2804 hits with Last Name = 'bosc' 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
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50131891 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C33H36N4O7/c1-24-30(38)26-12-7-13-27(32(26)44-31(24)25-10-3-2-4-11-25)33(39)34-16-8-17-35-18-20-36(21-19-35)28-14-5-6-15-29(28)42-22-9-23-43-37(40)41/h2-7,10-15H,8-9,16-23H2,1H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50131890 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1 Show InChI InChI=1S/C34H32N6O6/c1-23-31(41)25-11-7-12-26(33(25)45-32(23)24-9-3-2-4-10-24)34(42)36-15-8-16-38-17-19-39(20-18-38)28-13-5-6-14-30(28)44-22-27-29(21-35)40(43)46-37-27/h2-7,9-14H,8,15-20,22H2,1H3,(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50131891 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C33H36N4O7/c1-24-30(38)26-12-7-13-27(32(26)44-31(24)25-10-3-2-4-11-25)33(39)34-16-8-17-35-18-20-36(21-19-35)28-14-5-6-15-29(28)42-22-9-23-43-37(40)41/h2-7,10-15H,8-9,16-23H2,1H3,(H,34,39)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50131888 (4-[2-(4-{3-[(3-Methyl-4-oxo-2-phenyl-4H-chromene-8...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C34H34N6O7/c1-22-30(41)24-11-7-12-25(32(24)46-31(22)23-9-3-2-4-10-23)34(43)36-15-8-16-38-17-19-39(20-18-38)27-13-5-6-14-28(27)45-21-26-29(33(35)42)40(44)47-37-26/h2-7,9-14H,8,15-21H2,1H3,(H2,35,42)(H,36,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM50427703 (CHEMBL2324220) Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)| Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE expressed in CHO cells in presence of [125I]-insulin by HTRF assay				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50131888 (4-[2-(4-{3-[(3-Methyl-4-oxo-2-phenyl-4H-chromene-8...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C34H34N6O7/c1-22-30(41)24-11-7-12-25(32(24)46-31(22)23-9-3-2-4-10-23)34(43)36-15-8-16-38-17-19-39(20-18-38)27-13-5-6-14-28(27)45-21-26-29(33(35)42)40(44)47-37-26/h2-7,9-14H,8,15-21H2,1H3,(H2,35,42)(H,36,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50131890 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1 Show InChI InChI=1S/C34H32N6O6/c1-23-31(41)25-11-7-12-26(33(25)45-32(23)24-9-3-2-4-10-24)34(42)36-15-8-16-38-17-19-39(20-18-38)28-13-5-6-14-30(28)44-22-27-29(21-35)40(43)46-37-27/h2-7,9-14H,8,15-20,22H2,1H3,(H,36,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50059672 ((S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5...) Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of (RS)-[3H]AMPA from recombinant rat GluA3 expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 62: 4467-4482 (2019) Article DOI: 10.1021/acs.jmedchem.8b01986 BindingDB Entry DOI: 10.7270/Q2NG4V06
					More data for this Ligand-Target Pair
Glutamate receptor 4 (Rattus norvegicus)	BDBM50059672 ((S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5...) Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of (RS)-[3H]AMPA from recombinant rat GluA4 expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 62: 4467-4482 (2019) Article DOI: 10.1021/acs.jmedchem.8b01986 BindingDB Entry DOI: 10.7270/Q2NG4V06
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050905 (CHEMBL3309853) Show SMILES NS(=O)(=O)c1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O6S2/c15-25(20,21)12-8-6-10(7-9-12)22-13-14(17-23-16-13)24(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50131891 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C33H36N4O7/c1-24-30(38)26-12-7-13-27(32(26)44-31(24)25-10-3-2-4-11-25)33(39)34-16-8-17-35-18-20-36(21-19-35)28-14-5-6-15-29(28)42-22-9-23-43-37(40)41/h2-7,10-15H,8-9,16-23H2,1H3,(H,34,39)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050921 (CHEMBL3309370) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Sc2ccccc2)no[n+]1[O-] Show InChI InChI=1S/C14H11N3O4S2/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-21-17(13)18)22-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)	PDB MMDB Reactome pathway 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50131890 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1 Show InChI InChI=1S/C34H32N6O6/c1-23-31(41)25-11-7-12-26(33(25)45-32(23)24-9-3-2-4-10-24)34(42)36-15-8-16-38-17-19-39(20-18-38)28-13-5-6-14-30(28)44-22-27-29(21-35)40(43)46-37-27/h2-7,9-14H,8,15-20,22H2,1H3,(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50051028 (CHEMBL3309359) Show SMILES CC(C)COc1nonc1S(N)(=O)=O Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Glutamate receptor 2 (Rattus norvegicus)	BDBM50059672 ((S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5...) Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of (RS)-[3H]AMPA from recombinant rat GluA2(R) expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 62: 4467-4482 (2019) Article DOI: 10.1021/acs.jmedchem.8b01986 BindingDB Entry DOI: 10.7270/Q2NG4V06
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050920 (CHEMBL3309369) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Sc1ccccc1 Show InChI InChI=1S/C14H11N3O3S2/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-20-16-13)21-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433865 (CHEMBL2380402) Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50050959 (CHEMBL3309354) Show SMILES Cc1no[n+]([O-])c1S(N)(=O)=O Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)6(7)10-5-2/h1H3,(H2,4,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50050958 (CHEMBL3309353) Show SMILES Cc1c(no[n+]1[O-])S(N)(=O)=O Show InChI InChI=1S/C3H5N3O4S/c1-2-3(11(4,8)9)5-10-6(2)7/h1H3,(H2,4,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50131889 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-] Show InChI InChI=1S/C34H35N5O6/c1-23-31(40)26-12-8-13-27(33(26)44-32(23)25-10-4-3-5-11-25)34(41)35-16-9-17-37-18-20-38(21-19-37)29-14-6-7-15-30(29)43-22-28-24(2)39(42)45-36-28/h3-8,10-15H,9,16-22H2,1-2H3,(H,35,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO-cells (chinese hamster ovary cells)				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50051027 (CHEMBL3309358) Show SMILES CCCCOc1nonc1S(N)(=O)=O Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051029 (CHEMBL3309360) Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1 Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Glutamate receptor 1 (Rattus norvegicus (Rat))	BDBM50059672 ((S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5...) Show SMILES Cn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O Show InChI InChI=1S/C8H10N6O4/c1-14-11-6(10-13-14)5-3(7(15)12-18-5)2-4(9)8(16)17/h4H,2,9H2,1H3,(H,12,15)(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Displacement of (RS)-[3H]AMPA from recombinant rat GluA1 expressed in baculovirus infected Sf9 insect cell membranes				J Med Chem 62: 4467-4482 (2019) Article DOI: 10.1021/acs.jmedchem.8b01986 BindingDB Entry DOI: 10.7270/Q2NG4V06
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051028 (CHEMBL3309359) Show SMILES CC(C)COc1nonc1S(N)(=O)=O Show InChI InChI=1S/C6H11N3O4S/c1-4(2)3-12-5-6(9-13-8-5)14(7,10)11/h4H,3H2,1-2H3,(H2,7,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051027 (CHEMBL3309358) Show SMILES CCCCOc1nonc1S(N)(=O)=O Show InChI InChI=1S/C6H11N3O4S/c1-2-3-4-12-5-6(9-13-8-5)14(7,10)11/h2-4H2,1H3,(H2,7,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050903 (CHEMBL3309377) Show SMILES NS(=O)(=O)c1ccc(OCc2nonc2C#N)cc1 Show InChI InChI=1S/C10H8N4O4S/c11-5-9-10(14-18-13-9)6-17-7-1-3-8(4-2-7)19(12,15)16/h1-4H,6H2,(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50051029 (CHEMBL3309360) Show SMILES NS(=O)(=O)c1nonc1OCc1ccccc1 Show InChI InChI=1S/C9H9N3O4S/c10-17(13,14)9-8(11-16-12-9)15-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50051025 (CHEMBL3309356) Show SMILES COc1nonc1S(N)(=O)=O Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050907 (CHEMBL3309352) Show SMILES Cc1nonc1S(N)(=O)=O Show InChI InChI=1S/C3H5N3O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3,(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051026 (CHEMBL3309357) Show SMILES CCOc1nonc1S(N)(=O)=O Show InChI InChI=1S/C4H7N3O4S/c1-2-10-3-4(7-11-6-3)12(5,8)9/h2H2,1H3,(H2,5,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50057465 (3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1 Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells				J Med Chem 46: 3762-5 (2003) Article DOI: 10.1021/jm030825u BindingDB Entry DOI: 10.7270/Q2BZ65FJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050904 (CHEMBL3309378) Show SMILES NS(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1 Show InChI InChI=1S/C10H8N4O5S/c11-5-10-9(13-19-14(10)15)6-18-7-1-3-8(4-2-7)20(12,16)17/h1-4H,6H2,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050923 (CHEMBL3309372) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(no[n+]1[O-])S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O6S2/c15-25(21,22)12-8-6-10(7-9-12)13-14(16-23-17(13)18)24(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433878 (CHEMBL2380389) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050914 (CHEMBL3309367) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1Oc1ccccc1 Show InChI InChI=1S/C14H11N3O4S/c15-22(18,19)12-8-6-10(7-9-12)13-14(17-21-16-13)20-11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50433880 (CHEMBL2380387) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r| Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Florida State University Curated by ChEMBL					Assay Description Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay				J Med Chem 56: 4357-73 (2013) Article DOI: 10.1021/jm400529f BindingDB Entry DOI: 10.7270/Q21Z45TX
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050922 (CHEMBL3309371) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nonc1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H11N3O5S2/c15-24(20,21)12-8-6-10(7-9-12)13-14(17-22-16-13)23(18,19)11-4-2-1-3-5-11/h1-9H,(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50050918 (CHEMBL3309368) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(Oc2ccccc2)no[n+]1[O-] Show InChI InChI=1S/C14H11N3O5S/c15-23(19,20)12-8-6-10(7-9-12)13-14(16-22-17(13)18)21-11-4-2-1-3-5-11/h1-9H,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50050963 (CHEMBL3309355) Show SMILES NS(=O)(=O)c1nonc1-c1ccccc1 Show InChI InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50051030 (CHEMBL3309361) Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1 Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50051030 (CHEMBL3309361) Show SMILES NS(=O)(=O)c1nonc1Oc1ccccc1 Show InChI InChI=1S/C8H7N3O4S/c9-16(12,13)8-7(10-15-11-8)14-6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50051025 (CHEMBL3309356) Show SMILES COc1nonc1S(N)(=O)=O Show InChI InChI=1S/C3H5N3O4S/c1-9-2-3(6-10-5-2)11(4,7)8/h1H3,(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair

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