Compile Data Set for Download or QSAR

Found 2724 hits with Last Name = 'ye' and Initial = 'z'   

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
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50389603 (CHEMBL2069499) Show SMILES CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]SS-14 from human SST3 receptor expressed in CHO cells after 60 mins by scintillation counting				ACS Med Chem Lett 3: 289-293 (2012) Article DOI: 10.1021/ml200272z BindingDB Entry DOI: 10.7270/Q2K938MH
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50389592 (CHEMBL2069500) Show SMILES C1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N4/c1-3-9-17(10-4-1)23-16-27-26(30-23)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18,22,24,28-29H,2,5-6,11-12,15H2,(H,27,30)/t22-,24?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Binding affinity to human SST3 receptor				ACS Med Chem Lett 3: 289-293 (2012) Article DOI: 10.1021/ml200272z BindingDB Entry DOI: 10.7270/Q2K938MH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569044 (CHEMBL4872457) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1cc2cc(Br)ccc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50569035 (CHEMBL4867387) Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50556081 (CHEMBL4789539) Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1sc2nc3ccccc3n2c1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569040 (CHEMBL4873532) Show SMILES Cc1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					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
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 1022-1027 (2020) Article DOI: 10.1021/acsmedchemlett.0c00094 BindingDB Entry DOI: 10.7270/Q2CV4N92
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50556087 (CHEMBL4746938) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50556088 (CHEMBL4758959) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\Nc1ccc(C)c(c1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569041 (CHEMBL4864064) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50556089 (CHEMBL4792315) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\Nc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569035 (CHEMBL4867387) Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50569044 (CHEMBL4872457) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1cc2cc(Br)ccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569039 (CHEMBL4860334) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569030 (CHEMBL4854110) Show SMILES Cc1c(NC(=O)Nc2ccc(C)c(c2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM86740 (UR-AK24 | UR-AK57) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8| Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Kansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 317: 1262-8 (2006) Article DOI: 10.1124/jpet.106.102897 BindingDB Entry DOI: 10.7270/Q2X63KHZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569036 (CHEMBL4870817) Show SMILES Cc1c(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50556086 (CHEMBL4796393) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NCCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50556085 (CHEMBL4799924) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NNC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50556095 (CHEMBL4794317) Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)sc2nc3ccccc3n12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569045 (CHEMBL4849803) Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2cc(Br)ccc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 1022-1027 (2020) Article DOI: 10.1021/acsmedchemlett.0c00094 BindingDB Entry DOI: 10.7270/Q2CV4N92
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569031 (CHEMBL4862734) Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50556086 (CHEMBL4796393) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NCCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50556084 (CHEMBL4791447) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50556083 (CHEMBL4763848) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NNc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM86740 (UR-AK24 | UR-AK57) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8| Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 317: 1262-8 (2006) Article DOI: 10.1124/jpet.106.102897 BindingDB Entry DOI: 10.7270/Q2X63KHZ
					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
TBA					Assay Description Inhibition of human CA2 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
TBA					Assay Description Inhibition of human CA2 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569036 (CHEMBL4870817) Show SMILES Cc1c(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50043804 (5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...) Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant full length stromelysin (FLS)				J Med Chem 37: 206-9 (1994) BindingDB Entry DOI: 10.7270/Q2X34WH1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50556081 (CHEMBL4789539) Show SMILES C\C(=N/NC(=O)c1ccc(cc1)S(N)(=O)=O)c1sc2nc3ccccc3n2c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50043804 (5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...) Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of recombinant stromelysin catalytic domain (SCD)				J Med Chem 37: 206-9 (1994) BindingDB Entry DOI: 10.7270/Q2X34WH1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50569031 (CHEMBL4862734) Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569035 (CHEMBL4867387) Show SMILES Cc1c(NC(=O)NCCc2ccc(cc2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM86742 (UR-AK64) Show SMILES NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15| Show InChI InChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 317: 1262-8 (2006) Article DOI: 10.1124/jpet.106.102897 BindingDB Entry DOI: 10.7270/Q2X63KHZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50556094 (CHEMBL4761395) Show SMILES Cc1c(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)sc2nc3ccccc3n12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569029 (CHEMBL4874468) Show SMILES Cc1c(NC(=O)Nc2cccc(c2)S(N)(=O)=O)oc2ccccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST-tagged PPARG LBD (unknown origin) by Fluormone Pan-PPAR Green tracer based TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01512 BindingDB Entry DOI: 10.7270/Q28K7DRF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569038 (CHEMBL4855981) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1Cl)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50112815 (CHEMBL2221212) Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O |r| Show InChI InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	<17.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase				ACS Med Chem Lett 6: 822-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00196 BindingDB Entry DOI: 10.7270/Q2J67JPW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50569041 (CHEMBL4864064) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50569041 (CHEMBL4864064) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc3cc(Br)ccc3o2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50569039 (CHEMBL4860334) Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 by stopped- flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113283 BindingDB Entry DOI: 10.7270/Q24Q7ZSN
					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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay				ACS Med Chem Lett 11: 1022-1027 (2020) Article DOI: 10.1021/acsmedchemlett.0c00094 BindingDB Entry DOI: 10.7270/Q2CV4N92
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50556086 (CHEMBL4796393) Show SMILES Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NCCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112745 BindingDB Entry DOI: 10.7270/Q22B92PW
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM86747 (UR-AK67) Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15| Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 317: 1262-8 (2006) Article DOI: 10.1124/jpet.106.102897 BindingDB Entry DOI: 10.7270/Q2X63KHZ
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM86738 (UR-AK46) Show SMILES NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12| Show InChI InChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by PDSP Ki Database									J Pharmacol Exp Ther 317: 1262-8 (2006) Article DOI: 10.1124/jpet.106.102897 BindingDB Entry DOI: 10.7270/Q2X63KHZ
					More data for this Ligand-Target Pair

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