Compile Data Set for Download or QSAR

Found 353 hits Enz. Inhib. hit(s) with Target = 'Uncharacterized protein'   

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
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50292408 ((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...) Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359757 (CHEMBL1928139) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1 Show InChI InChI=1S/C56H76N10O9/c1-69-53-13-5-3-11-49(53)63-27-23-61(24-28-63)19-9-7-17-57-55(67)47-41-59-65-21-15-45(39-51(47)65)43-74-37-35-72-33-31-71-32-34-73-36-38-75-44-46-16-22-66-52(40-46)48(42-60-66)56(68)58-18-8-10-20-62-25-29-64(30-26-62)50-12-4-6-14-54(50)70-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38,43-44H2,1-2H3,(H,57,67)(H,58,68)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359763 (CHEMBL1928122) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(c3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2)CC1 Show InChI InChI=1S/C52H72N6O9/c1-61-49-19-5-3-17-47(49)57-29-25-55(26-30-57)23-9-7-21-53-51(59)43-13-11-15-45(41-43)66-39-37-64-35-33-63-34-36-65-38-40-67-46-16-12-14-44(42-46)52(60)54-22-8-10-24-56-27-31-58(32-28-56)48-18-4-6-20-50(48)62-2/h3-6,11-20,41-42H,7-10,21-40H2,1-2H3,(H,53,59)(H,54,60)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359755 (CHEMBL1928137) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1 Show InChI InChI=1S/C54H72N10O9/c1-67-51-13-5-3-11-47(51)61-27-23-59(24-28-61)19-9-7-17-55-53(65)45-41-57-63-21-15-43(39-49(45)63)72-37-35-70-33-31-69-32-34-71-36-38-73-44-16-22-64-50(40-44)46(42-58-64)54(66)56-18-8-10-20-60-25-29-62(30-26-60)48-12-4-6-14-52(48)68-2/h3-6,11-16,21-22,39-42H,7-10,17-20,23-38H2,1-2H3,(H,55,65)(H,56,66)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359742 (CHEMBL1928126) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C54H76N6O9/c1-63-51-13-5-3-11-49(51)59-31-27-57(28-32-59)25-9-7-23-55-53(61)47-19-15-45(16-20-47)43-68-41-39-66-37-35-65-36-38-67-40-42-69-44-46-17-21-48(22-18-46)54(62)56-24-8-10-26-58-29-33-60(34-30-58)50-12-4-6-14-52(50)64-2/h3-6,11-22H,7-10,23-44H2,1-2H3,(H,55,61)(H,56,62)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359751 (CHEMBL1928134) Show SMILES CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2c1 Show InChI InChI=1S/C27H37N5O4/c1-3-35-18-19-36-22-10-13-32-25(20-22)23(21-29-32)27(33)28-11-6-7-12-30-14-16-31(17-15-30)24-8-4-5-9-26(24)34-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359753 (CHEMBL1928136) Show SMILES CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2c1 Show InChI InChI=1S/C28H39N5O4/c1-3-36-18-19-37-22-23-10-13-33-26(20-23)24(21-30-33)28(34)29-11-6-7-12-31-14-16-32(17-15-31)25-8-4-5-9-27(25)35-2/h4-5,8-10,13,20-21H,3,6-7,11-12,14-19,22H2,1-2H3,(H,29,34)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359762 (CHEMBL1928121) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(c3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2)CC1 Show InChI InChI=1S/C50H68N6O9/c1-59-47-17-5-3-15-45(47)55-27-23-53(24-28-55)21-9-19-51-49(57)41-11-7-13-43(39-41)64-37-35-62-33-31-61-32-34-63-36-38-65-44-14-8-12-42(40-44)50(58)52-20-10-22-54-25-29-56(30-26-54)46-16-4-6-18-48(46)60-2/h3-8,11-18,39-40H,9-10,19-38H2,1-2H3,(H,51,57)(H,52,58)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359743 (CHEMBL1928125) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C52H72N6O9/c1-61-49-11-5-3-9-47(49)57-29-25-55(26-30-57)23-7-21-53-51(59)45-17-13-43(14-18-45)41-66-39-37-64-35-33-63-34-36-65-38-40-67-42-44-15-19-46(20-16-44)52(60)54-22-8-24-56-27-31-58(32-28-56)48-10-4-6-12-50(48)62-2/h3-6,9-20H,7-8,21-42H2,1-2H3,(H,53,59)(H,54,60)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359745 (CHEMBL1928128) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C56H80N6O10/c1-65-53-13-5-3-11-51(53)61-31-27-59(28-32-61)25-9-7-23-57-55(63)49-19-15-47(16-20-49)45-71-43-41-69-39-37-67-35-36-68-38-40-70-42-44-72-46-48-17-21-50(22-18-48)56(64)58-24-8-10-26-60-29-33-62(34-30-60)52-12-4-6-14-54(52)66-2/h3-6,11-22H,7-10,23-46H2,1-2H3,(H,57,63)(H,58,64)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258678 (1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359756 (CHEMBL1928138) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1 Show InChI InChI=1S/C54H72N10O9/c1-67-51-11-5-3-9-47(51)61-25-21-59(22-26-61)17-7-15-55-53(65)45-39-57-63-19-13-43(37-49(45)63)41-72-35-33-70-31-29-69-30-32-71-34-36-73-42-44-14-20-64-50(38-44)46(40-58-64)54(66)56-16-8-18-60-23-27-62(28-24-60)48-10-4-6-12-52(48)68-2/h3-6,9-14,19-20,37-40H,7-8,15-18,21-36,41-42H2,1-2H3,(H,55,65)(H,56,66)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359749 (CHEMBL1928132) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C62H92N6O13/c1-71-59-13-5-3-11-57(59)67-31-27-65(28-32-67)25-9-7-23-63-61(69)55-19-15-53(16-20-55)51-80-49-47-78-45-43-76-41-39-74-37-35-73-36-38-75-40-42-77-44-46-79-48-50-81-52-54-17-21-56(22-18-54)62(70)64-24-8-10-26-66-29-33-68(34-30-66)58-12-4-6-14-60(58)72-2/h3-6,11-22H,7-10,23-52H2,1-2H3,(H,63,69)(H,64,70)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Macaca mulatta)	BDBM50081194 (CHEMBL3422009 | US10544150, Compound 156) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C26H19F2N5OS2/c1-15-23-30-31-24(21-14-36-25(29-21)19-9-8-18(27)13-20(19)28)33(23)11-10-32(15)26(34)17-6-4-16(5-7-17)22-3-2-12-35-22/h2-9,12-15H,10-11H2,1H3/t15-/m1/s1	PDB UniProtKB/TrEMBL 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
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359754 (CHEMBL1926700) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1 Show InChI InChI=1S/C52H68N10O9/c1-65-49-11-5-3-9-45(49)59-25-21-57(22-26-59)17-7-15-53-51(63)43-39-55-61-19-13-41(37-47(43)61)70-35-33-68-31-29-67-30-32-69-34-36-71-42-14-20-62-48(38-42)44(40-56-62)52(64)54-16-8-18-58-23-27-60(28-24-58)46-10-4-6-12-50(46)66-2/h3-6,9-14,19-20,37-40H,7-8,15-18,21-36H2,1-2H3,(H,53,63)(H,54,64)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359744 (CHEMBL1928127) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C54H76N6O10/c1-63-51-11-5-3-9-49(51)59-29-25-57(26-30-59)23-7-21-55-53(61)47-17-13-45(14-18-47)43-69-41-39-67-37-35-65-33-34-66-36-38-68-40-42-70-44-46-15-19-48(20-16-46)54(62)56-22-8-24-58-27-31-60(32-28-58)50-10-4-6-12-52(50)64-2/h3-6,9-20H,7-8,21-44H2,1-2H3,(H,55,61)(H,56,62)	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359747 (CHEMBL1928130) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C58H84N6O11/c1-67-55-13-5-3-11-53(55)63-31-27-61(28-32-63)25-9-7-23-59-57(65)51-19-15-49(16-20-51)47-74-45-43-72-41-39-70-37-35-69-36-38-71-40-42-73-44-46-75-48-50-17-21-52(22-18-50)58(66)60-24-8-10-26-62-29-33-64(34-30-62)54-12-4-6-14-56(54)68-2/h3-6,11-22H,7-10,23-48H2,1-2H3,(H,59,65)(H,60,66)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM54376 (6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic a...) Show SMILES CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O Show InChI InChI=1S/C18H22O5/c1-3-5-6-7-8-12-9-13-10-14(17(20)22-4-2)18(21)23-16(13)11-15(12)19/h9-11,19H,3-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents 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 Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258716 (1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-...) Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Macaca mulatta)	BDBM50081196 (CHEMBL3422015 | US10065961, Compound 13 | US106832...) Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1	PDB UniProtKB/TrEMBL 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
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Macaca mulatta)	BDBM50081198 (CHEMBL3422018 | US10065961, Compound 24 | US947581...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB UniProtKB/TrEMBL 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
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB 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 Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359746 (CHEMBL1928129) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C56H80N6O11/c1-65-53-11-5-3-9-51(53)61-29-25-59(26-30-61)23-7-21-57-55(63)49-17-13-47(14-18-49)45-72-43-41-70-39-37-68-35-33-67-34-36-69-38-40-71-42-44-73-46-48-15-19-50(20-16-48)56(64)58-22-8-24-60-27-31-62(32-28-60)52-10-4-6-12-54(52)66-2/h3-6,9-20H,7-8,21-46H2,1-2H3,(H,57,63)(H,58,64)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50334356 (4-(3-(4-iodophenyl)ureido)benzenesulfonamide | 4-{...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1 Show InChI InChI=1S/C13H12IN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (GUINEA PIG)	BDBM50009075 (CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...) Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	6.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 258: 531-6 (1991) BindingDB Entry DOI: 10.7270/Q2BK19TF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359761 (CHEMBL1928120) Show SMILES CCOCCOc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C26H37N3O4/c1-3-32-19-20-33-23-10-8-9-22(21-23)26(30)27-13-6-7-14-28-15-17-29(18-16-28)24-11-4-5-12-25(24)31-2/h4-5,8-12,21H,3,6-7,13-20H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258792 (3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide | CHE...) Show SMILES NC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H13N3O3S/c16-15(19)14-13(9-4-2-1-3-5-9)11-8-10(22(17,20)21)6-7-12(11)18-14/h1-8,18H,(H2,16,19)(H2,17,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50334355 (4-(3-(4-bromophenyl)ureido)benzenesulfonamide | 4-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C13H12BrN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258635 (1-(3-(4-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(F)cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258588 (1-(3-(2-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1 |(24.35,-15,;22.81,-15.01,;22.03,-13.67,;20.49,-13.68,;19.72,-12.34,;19.73,-15,;18.19,-15,;17.42,-16.34,;18.19,-17.67,;15.88,-16.34,;14.97,-17.59,;13.5,-17.12,;12.16,-17.89,;10.83,-17.12,;10.83,-15.57,;12.16,-14.8,;13.5,-15.56,;14.97,-15.08,;15.45,-13.62,;16.95,-13.3,;17.43,-11.84,;16.4,-10.69,;14.89,-11.02,;14.42,-12.48,;12.91,-12.81,;9.5,-14.8,;8.16,-14.03,;10.27,-13.47,;8.73,-16.14,;20.5,-16.34,;19.73,-17.67,;22.04,-16.34,)| Show InChI InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258298 (1-(3-(3-methoxyphenyl)-5-sulfamoyl-1H-indole-2-car...) Show SMILES COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O4S/c1-14-10-15(2)28(16(3)11-14)27-24(29)23-22(17-6-5-7-18(12-17)32-4)20-13-19(33(25,30)31)8-9-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359748 (CHEMBL1928131) Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1 Show InChI InChI=1S/C60H88N6O13/c1-69-57-11-5-3-9-55(57)65-29-25-63(26-30-65)23-7-21-61-59(67)53-17-13-51(14-18-53)49-78-47-45-76-43-41-74-39-37-72-35-33-71-34-36-73-38-40-75-42-44-77-46-48-79-50-52-15-19-54(20-16-52)60(68)62-22-8-24-64-27-31-66(32-28-64)56-10-4-6-12-58(56)70-2/h3-6,9-20H,7-8,21-50H2,1-2H3,(H,61,67)(H,62,68)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258587 (1-(([5-(Aminosulfonyl)-3-phenyl-1H-indol-2-yl]carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H22N4O3S/c1-14-11-15(2)27(16(3)12-14)26-23(28)22-21(17-7-5-4-6-8-17)19-13-18(31(24,29)30)9-10-20(19)25-22/h4-13H,1-3H3,(H3-,24,25,26,28,29,30)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359765 (CHEMBL1928124) Show SMILES CCOCCOCc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C27H39N3O4/c1-3-33-20-21-34-22-23-10-12-24(13-11-23)27(31)28-14-6-7-15-29-16-18-30(19-17-29)25-8-4-5-9-26(25)32-2/h4-5,8-13H,3,6-7,14-22H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359750 (CHEMBL1928133) Show SMILES CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2c1 Show InChI InChI=1S/C26H35N5O4/c1-3-34-17-18-35-21-9-12-31-24(19-21)22(20-28-31)26(32)27-10-6-11-29-13-15-30(16-14-29)23-7-4-5-8-25(23)33-2/h4-5,7-9,12,19-20H,3,6,10-11,13-18H2,1-2H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258299 (1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)| Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258714 (1-({[5-(Aminosulfonyl)-3-(2-bromophenyl)-1H-indol-...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 |(7.26,-10.03,;5.72,-10.03,;4.94,-8.69,;3.41,-8.7,;2.63,-7.37,;2.65,-10.03,;1.11,-10.03,;.34,-11.36,;1.11,-12.69,;-1.2,-11.36,;-2.12,-12.62,;-3.59,-12.14,;-4.92,-12.91,;-6.26,-12.14,;-6.26,-10.59,;-4.93,-9.82,;-3.59,-10.59,;-2.12,-10.11,;-1.64,-8.64,;-.13,-8.33,;.34,-6.86,;-.69,-5.72,;-2.2,-6.04,;-2.67,-7.51,;-4.18,-7.83,;-7.59,-9.82,;-8.93,-9.05,;-6.82,-8.49,;-8.35,-11.16,;3.41,-11.36,;2.64,-12.7,;4.95,-11.36,)| Show InChI InChI=1S/C24H24N4O3S/c1-14-11-16(3)28(17(4)12-14)27-24(29)23-22(19-8-6-5-7-15(19)2)20-13-18(32(25,30)31)9-10-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Adenosine receptor A2 (Bos taurus)	BDBM50438367 (CHEMBL2413102) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(=O)NCCNC(=S)Nc4ccc(C5C6C=CC(=O)C=C6Oc6cc(O)ccc56)c(c4)C(O)=O)cc3)nc12 |r,c:45,49| Show InChI InChI=1S/C46H48N10O10S/c1-2-48-42(62)39-37(60)38(61)43(66-39)56-22-52-36-40(47)54-45(55-41(36)56)50-16-15-24-5-3-23(4-6-24)7-14-34(59)49-17-18-51-46(67)53-25-8-11-28(31(19-25)44(63)64)35-29-12-9-26(57)20-32(29)65-33-21-27(58)10-13-30(33)35/h3-6,8-13,19-22,29,35,37-39,43,58,60-61H,2,7,14-18H2,1H3,(H,48,62)(H,49,59)(H,63,64)(H2,51,53,67)(H3,47,50,54,55)/t29?,35?,37-,38+,39-,43+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine striatal membranes after 90 mins by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 26-36 (2012) Article DOI: 10.1016/j.bmcl.2012.10.112 BindingDB Entry DOI: 10.7270/Q2XK8H03
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258634 (1-(3-(3-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(F)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21FN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258681 (1-(3-(4-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359760 (CHEMBL1928119) Show SMILES CCOCCOc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C25H35N3O4/c1-3-31-18-19-32-22-9-6-8-21(20-22)25(29)26-12-7-13-27-14-16-28(17-15-27)23-10-4-5-11-24(23)30-2/h4-6,8-11,20H,3,7,12-19H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359764 (CHEMBL1928123) Show SMILES CCOCCOCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C26H37N3O4/c1-3-32-19-20-33-21-22-9-11-23(12-10-22)26(30)27-13-6-14-28-15-17-29(18-16-28)24-7-4-5-8-25(24)31-2/h4-5,7-12H,3,6,13-21H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Sus scrofa)	BDBM50359752 (CHEMBL1928135) Show SMILES CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2c1 Show InChI InChI=1S/C27H37N5O4/c1-3-35-17-18-36-21-22-9-12-32-25(19-22)23(20-29-32)27(33)28-10-6-11-30-13-15-31(16-14-30)24-7-4-5-8-26(24)34-2/h4-5,7-9,12,19-20H,3,6,10-11,13-18,21H2,1-2H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate				Bioorg Med Chem 20: 455-66 (2011) Article DOI: 10.1016/j.bmc.2011.10.063 BindingDB Entry DOI: 10.7270/Q2R211TP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Macaca mulatta)	BDBM50081195 (CHEMBL3422010 | US10065961, Compound 1 | US1068329...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Macaca mulatta)	BDBM50081197 (CHEMBL3422017 | US10065961, Compound 23 | US106832...) Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Euroscreen SA Curated by ChEMBL					Assay Description Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis				J Med Chem 58: 3060-82 (2015) Article DOI: 10.1021/jm5017413 BindingDB Entry DOI: 10.7270/Q2ZP47TC
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258636 (1-(3-(2-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1 |(7.6,-34.02,;6.06,-34.02,;5.28,-32.69,;3.75,-32.69,;2.97,-31.36,;2.99,-34.02,;1.45,-34.02,;.68,-35.36,;1.45,-36.69,;-.86,-35.36,;-1.77,-36.61,;-3.25,-36.13,;-4.58,-36.9,;-5.92,-36.13,;-5.91,-34.59,;-4.58,-33.82,;-3.25,-34.58,;-1.77,-34.1,;-1.3,-32.64,;.21,-32.32,;.69,-30.86,;-.35,-29.71,;-1.86,-30.04,;-2.33,-31.5,;-3.83,-31.83,;-7.25,-33.82,;-8.59,-33.05,;-6.48,-32.48,;-8.01,-35.15,;3.75,-35.36,;2.98,-36.69,;5.29,-35.36,)| Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM50334364 (4-(3-(4-butoxyphenyl)ureido)benzenesulfonamide | 4...) Show SMILES CCCCOc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H21N3O4S/c1-2-3-12-24-15-8-4-13(5-9-15)19-17(21)20-14-6-10-16(11-7-14)25(18,22)23/h4-11H,2-3,12H2,1H3,(H2,18,22,23)(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
					More data for this Ligand-Target Pair

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