Compile Data Set for Download or QSAR

Found 359 hits with Last Name = 'kurt' and Initial = 'b'   

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
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50291668 (CHEMBL4160691) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C46H73N13O11/c1-7-25(5)36(43(67)55-33(20-28-21-50-23-52-28)44(68)59-18-10-12-34(59)41(65)58-37(45(69)70)26(6)8-2)57-40(64)32(19-27-13-15-29(61)16-14-27)54-42(66)35(24(3)4)56-39(63)31(11-9-17-51-46(48)49)53-38(62)30(47)22-60/h13-16,21,23-26,30-37,60-61H,7-12,17-20,22,47H2,1-6H3,(H,50,52)(H,53,62)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,65)(H,69,70)(H4,48,49,51)/t25-,26-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Bahcesehir University (BAU) Curated by ChEMBL					Assay Description Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...				Eur J Med Chem 145: 273-290 (2018) Article DOI: 10.1016/j.ejmech.2017.12.021 BindingDB Entry DOI: 10.7270/Q2639S81
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50049186 ((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bahcesehir University (BAU) Curated by ChEMBL					Assay Description Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...				Eur J Med Chem 145: 273-290 (2018) Article DOI: 10.1016/j.ejmech.2017.12.021 BindingDB Entry DOI: 10.7270/Q2639S81
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bahcesehir University (BAU) Curated by ChEMBL					Assay Description Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...				Eur J Med Chem 145: 273-290 (2018) Article DOI: 10.1016/j.ejmech.2017.12.021 BindingDB Entry DOI: 10.7270/Q2639S81
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504304 (CHEMBL4556773) Show SMILES CCN(CC)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c(OCC#C)c1 Show InChI InChI=1S/C21H25N3O3S/c1-4-13-27-21-14-19(24(5-2)6-3)10-9-18(21)16-23-15-17-7-11-20(12-8-17)28(22,25)26/h1,7-12,14,16H,5-6,13,15H2,2-3H3,(H2,22,25,26)/b23-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504287 (CHEMBL4435171) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCC#C Show InChI InChI=1S/C18H18N2O4S/c1-3-11-24-18-15(5-4-6-17(18)23-2)13-20-12-14-7-9-16(10-8-14)25(19,21)22/h1,4-10,13H,11-12H2,2H3,(H2,19,21,22)/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504288 (CHEMBL4476824) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCC#C)cc1 Show InChI InChI=1S/C17H15BrN2O3S/c1-2-9-23-17-8-5-15(18)10-14(17)12-20-11-13-3-6-16(7-4-13)24(19,21)22/h1,3-8,10,12H,9,11H2,(H2,19,21,22)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504291 (CHEMBL4447913) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1 Show InChI InChI=1S/C33H29N5O6S/c34-45(40,41)28-12-6-23(7-13-28)19-35-20-30-29-5-2-1-4-24(29)9-14-31(30)43-22-26-21-38(37-36-26)16-3-17-42-27-11-8-25-10-15-33(39)44-32(25)18-27/h1-2,4-15,18,20-21H,3,16-17,19,22H2,(H2,34,40,41)/b35-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504297 (CHEMBL4460067) Show SMILES O=Cc1ccccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C22H19N3O5/c26-14-17-4-1-2-5-20(17)29-15-18-13-25(24-23-18)10-3-11-28-19-8-6-16-7-9-22(27)30-21(16)12-19/h1-2,4-9,12-14H,3,10-11,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504282 (CHEMBL4514845) Show SMILES COc1cc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)ccc1OCC#C Show InChI InChI=1S/C18H18N2O4S/c1-3-10-24-17-9-6-15(11-18(17)23-2)13-20-12-14-4-7-16(8-5-14)25(19,21)22/h1,4-9,11,13H,10,12H2,2H3,(H2,19,21,22)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504297 (CHEMBL4460067) Show SMILES O=Cc1ccccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C22H19N3O5/c26-14-17-4-1-2-5-20(17)29-15-18-13-25(24-23-18)10-3-11-28-19-8-6-16-7-9-22(27)30-21(16)12-19/h1-2,4-9,12-14H,3,10-11,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504281 (CHEMBL4436185) Show SMILES COc1cc(C=O)ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C23H21N3O6/c1-29-22-11-16(14-27)3-7-20(22)31-15-18-13-26(25-24-18)9-2-10-30-19-6-4-17-5-8-23(28)32-21(17)12-19/h3-8,11-14H,2,9-10,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504283 (CHEMBL4529795) Show SMILES [O-][N+](=O)c1ccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c(C=O)c1 Show InChI InChI=1S/C22H18N4O7/c27-13-16-10-18(26(29)30)4-6-20(16)32-14-17-12-25(24-23-17)8-1-9-31-19-5-2-15-3-7-22(28)33-21(15)11-19/h2-7,10-13H,1,8-9,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504285 (CHEMBL4446195) Show SMILES CCN(CC)c1ccc(C=O)c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C26H28N4O5/c1-3-29(4-2)22-9-6-20(17-31)24(14-22)34-18-21-16-30(28-27-21)12-5-13-33-23-10-7-19-8-11-26(32)35-25(19)15-23/h6-11,14-17H,3-5,12-13,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504293 (CHEMBL4435771) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)cc2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)27-11-4-22(5-12-27)18-31-17-21-2-8-25(9-3-21)39-20-24-19-34(33-32-24)14-1-15-38-26-10-6-23-7-13-29(35)40-28(23)16-26/h2-13,16-17,19H,1,14-15,18,20H2,(H2,30,36,37)/b31-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504306 (CHEMBL4548338) Show SMILES O=Cc1ccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C22H19N3O5/c26-14-16-2-6-19(7-3-16)29-15-18-13-25(24-23-18)10-1-11-28-20-8-4-17-5-9-22(27)30-21(17)12-20/h2-9,12-14H,1,10-11,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504294 (CHEMBL4456509) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)26-11-6-21(7-12-26)17-31-18-23-4-1-2-5-27(23)39-20-24-19-34(33-32-24)14-3-15-38-25-10-8-22-9-13-29(35)40-28(22)16-25/h1-2,4-13,16,18-19H,3,14-15,17,20H2,(H2,30,36,37)/b31-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504288 (CHEMBL4476824) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCC#C)cc1 Show InChI InChI=1S/C17H15BrN2O3S/c1-2-9-23-17-8-5-15(18)10-14(17)12-20-11-13-3-6-16(7-4-13)24(19,21)22/h1,3-8,10,12H,9,11H2,(H2,19,21,22)/b20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504303 (CHEMBL4526348) Show SMILES O=Cc1c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)ccc2ccccc12 Show InChI InChI=1S/C26H21N3O5/c30-16-23-22-5-2-1-4-18(22)7-10-24(23)33-17-20-15-29(28-27-20)12-3-13-32-21-9-6-19-8-11-26(31)34-25(19)14-21/h1-2,4-11,14-16H,3,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504286 (CHEMBL4475016) Show SMILES O=Cc1cccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C22H19N3O5/c26-14-16-3-1-4-19(11-16)29-15-18-13-25(24-23-18)9-2-10-28-20-7-5-17-6-8-22(27)30-21(17)12-20/h1,3-8,11-14H,2,9-10,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504295 (CHEMBL4445725) Show SMILES Brc1ccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c(C=O)c1 Show InChI InChI=1S/C22H18BrN3O5/c23-17-4-6-20(16(10-17)13-27)30-14-18-12-26(25-24-18)8-1-9-29-19-5-2-15-3-7-22(28)31-21(15)11-19/h2-7,10-13H,1,8-9,14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504304 (CHEMBL4556773) Show SMILES CCN(CC)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c(OCC#C)c1 Show InChI InChI=1S/C21H25N3O3S/c1-4-13-27-21-14-19(24(5-2)6-3)10-9-18(21)16-23-15-17-7-11-20(12-8-17)28(22,25)26/h1,7-12,14,16H,5-6,13,15H2,2-3H3,(H2,22,25,26)/b23-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504298 (CHEMBL4582534) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(ccc2OCC#C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H15N3O5S/c1-2-9-25-17-8-5-15(20(21)22)10-14(17)12-19-11-13-3-6-16(7-4-13)26(18,23)24/h1,3-8,10,12H,9,11H2,(H2,18,23,24)/b19-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504291 (CHEMBL4447913) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1 Show InChI InChI=1S/C33H29N5O6S/c34-45(40,41)28-12-6-23(7-13-28)19-35-20-30-29-5-2-1-4-24(29)9-14-31(30)43-22-26-21-38(37-36-26)16-3-17-42-27-11-8-25-10-15-33(39)44-32(25)18-27/h1-2,4-15,18,20-21H,3,16-17,19,22H2,(H2,34,40,41)/b35-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504305 (CHEMBL4524609) Show SMILES CCN(CC)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C33H36N6O6S/c1-3-38(4-2)28-11-8-26(21-35-20-24-6-13-30(14-7-24)46(34,41)42)31(18-28)44-23-27-22-39(37-36-27)16-5-17-43-29-12-9-25-10-15-33(40)45-32(25)19-29/h6-15,18-19,21-22H,3-5,16-17,20,23H2,1-2H3,(H2,34,41,42)/b35-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504290 (CHEMBL4471510) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCC#C)ccc3ccccc23)cc1 Show InChI InChI=1S/C21H18N2O3S/c1-2-13-26-21-12-9-17-5-3-4-6-19(17)20(21)15-23-14-16-7-10-18(11-8-16)27(22,24)25/h1,3-12,15H,13-14H2,(H2,22,24,25)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50291670 (CHEMBL4175147) Show SMILES CCCCC1=N\C(=C/c2ccccc2Br)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |t:4| Show InChI InChI=1S/C47H39BrN6O/c1-2-3-27-44-49-43(32-36-17-13-16-26-42(36)48)46(55)53(44)33-34-28-30-35(31-29-34)40-24-14-15-25-41(40)45-50-52-54(51-45)47(37-18-7-4-8-19-37,38-20-9-5-10-21-38)39-22-11-6-12-23-39/h4-26,28-32H,2-3,27,33H2,1H3/b43-32-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	317	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bahcesehir University (BAU) Curated by ChEMBL					Assay Description Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...				Eur J Med Chem 145: 273-290 (2018) Article DOI: 10.1016/j.ejmech.2017.12.021 BindingDB Entry DOI: 10.7270/Q2639S81
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504302 (CHEMBL4583269) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cccc(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)c2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)27-10-5-21(6-11-27)17-31-18-22-3-1-4-25(15-22)39-20-24-19-34(33-32-24)13-2-14-38-26-9-7-23-8-12-29(35)40-28(23)16-26/h1,3-12,15-16,18-19H,2,13-14,17,20H2,(H2,30,36,37)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	384	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504284 (CHEMBL4590079) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-27-5-2-4-23(18-32-17-21-6-11-26(12-7-21)43(31,37)38)30(27)41-20-24-19-35(34-33-24)14-3-15-40-25-10-8-22-9-13-29(36)42-28(22)16-25/h2,4-13,16,18-19H,3,14-15,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504282 (CHEMBL4514845) Show SMILES COc1cc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)ccc1OCC#C Show InChI InChI=1S/C18H18N2O4S/c1-3-10-24-17-9-6-15(11-18(17)23-2)13-20-12-14-4-7-16(8-5-14)25(19,21)22/h1,4-9,11,13H,10,12H2,2H3,(H2,19,21,22)/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	439	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504280 (CHEMBL4557277) Show SMILES COc1cc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-29-15-22(18-32-17-21-3-9-26(10-4-21)43(31,37)38)5-11-27(29)41-20-24-19-35(34-33-24)13-2-14-40-25-8-6-23-7-12-30(36)42-28(23)16-25/h3-12,15-16,18-19H,2,13-14,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504289 (CHEMBL4591855) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H26N6O8S/c30-44(39,40)26-8-2-20(3-9-26)16-31-17-22-14-24(35(37)38)6-10-27(22)42-19-23-18-34(33-32-23)12-1-13-41-25-7-4-21-5-11-29(36)43-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,30,39,40)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	466	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504294 (CHEMBL4456509) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)26-11-6-21(7-12-26)17-31-18-23-4-1-2-5-27(23)39-20-24-19-34(33-32-24)14-3-15-38-25-10-8-22-9-13-29(35)40-28(22)16-25/h1-2,4-13,16,18-19H,3,14-15,17,20H2,(H2,30,36,37)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504291 (CHEMBL4447913) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)ccc3ccccc23)cc1 Show InChI InChI=1S/C33H29N5O6S/c34-45(40,41)28-12-6-23(7-13-28)19-35-20-30-29-5-2-1-4-24(29)9-14-31(30)43-22-26-21-38(37-36-26)16-3-17-42-27-11-8-25-10-15-33(39)44-32(25)18-27/h1-2,4-15,18,20-21H,3,16-17,19,22H2,(H2,34,40,41)/b35-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504293 (CHEMBL4435771) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)cc2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)27-11-4-22(5-12-27)18-31-17-21-2-8-25(9-3-21)39-20-24-19-34(33-32-24)14-1-15-38-26-10-6-23-7-13-29(35)40-28(23)16-26/h2-13,16-17,19H,1,14-15,18,20H2,(H2,30,36,37)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	651	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504287 (CHEMBL4435171) Show SMILES COc1cccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1OCC#C Show InChI InChI=1S/C18H18N2O4S/c1-3-11-24-18-15(5-4-6-17(18)23-2)13-20-12-14-7-9-16(10-8-14)25(19,21)22/h1,4-10,13H,11-12H2,2H3,(H2,19,21,22)/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504280 (CHEMBL4557277) Show SMILES COc1cc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-29-15-22(18-32-17-21-3-9-26(10-4-21)43(31,37)38)5-11-27(29)41-20-24-19-35(34-33-24)13-2-14-40-25-8-6-23-7-12-30(36)42-28(23)16-25/h3-12,15-16,18-19H,2,13-14,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504292 (CHEMBL4589224) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(Br)ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 Show InChI InChI=1S/C29H26BrN5O6S/c30-23-6-10-27(22(14-23)17-32-16-20-2-8-26(9-3-20)42(31,37)38)40-19-24-18-35(34-33-24)12-1-13-39-25-7-4-21-5-11-29(36)41-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,31,37,38)/b32-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	791	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504280 (CHEMBL4557277) Show SMILES COc1cc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 Show InChI InChI=1S/C30H29N5O7S/c1-39-29-15-22(18-32-17-21-3-9-26(10-4-21)43(31,37)38)5-11-27(29)41-20-24-19-35(34-33-24)13-2-14-40-25-8-6-23-7-12-30(36)42-28(23)16-25/h3-12,15-16,18-19H,2,13-14,17,20H2,1H3,(H2,31,37,38)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	809	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504301 (CHEMBL4572678) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2OCC#C)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-17-6-4-3-5-15(17)13-19-12-14-7-9-16(10-8-14)23(18,20)21/h1,3-10,13H,11-12H2,(H2,18,20,21)/b19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504305 (CHEMBL4524609) Show SMILES CCN(CC)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C33H36N6O6S/c1-3-38(4-2)28-11-8-26(21-35-20-24-6-13-30(14-7-24)46(34,41)42)31(18-28)44-23-27-22-39(37-36-27)16-5-17-43-29-12-9-25-10-15-33(40)45-32(25)19-29/h6-15,18-19,21-22H,3-5,16-17,20,23H2,1-2H3,(H2,34,41,42)/b35-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	837	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50504289 (CHEMBL4591855) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H26N6O8S/c30-44(39,40)26-8-2-20(3-9-26)16-31-17-22-14-24(35(37)38)6-10-27(22)42-19-23-18-34(33-32-23)12-1-13-41-25-7-4-21-5-11-29(36)43-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,30,39,40)/b31-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504290 (CHEMBL4471510) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2c(OCC#C)ccc3ccccc23)cc1 Show InChI InChI=1S/C21H18N2O3S/c1-2-13-26-21-12-9-17-5-3-4-6-19(17)20(21)15-23-14-16-7-10-18(11-8-16)27(22,24)25/h1,3-12,15H,13-14H2,(H2,22,24,25)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	861	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504302 (CHEMBL4583269) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cccc(OCc3cn(CCCOc4ccc5ccc(=O)oc5c4)nn3)c2)cc1 Show InChI InChI=1S/C29H27N5O6S/c30-41(36,37)27-10-5-21(6-11-27)17-31-18-22-3-1-4-25(15-22)39-20-24-19-34(33-32-24)13-2-14-38-26-9-7-23-8-12-29(35)40-28(23)16-26/h1,3-12,15-16,18-19H,2,13-14,17,20H2,(H2,30,36,37)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	879	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
					More data for this Ligand-Target Pair

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