Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'anderson' and Initial = 'mo'   

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
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552265 (CHEMBL4799253) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552271 (CHEMBL4743280) Show SMILES COC(=O)C1CN(CCN1S(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552264 (CHEMBL4782486) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552268 (CHEMBL4799260) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(\C=C\c2ccccc2)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552275 (CHEMBL4797916) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(\C=C\c2ccccc2)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552272 (CHEMBL4794156) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1cccc(Br)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552263 (CHEMBL4749474) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1cccc(Br)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552269 (CHEMBL4785958) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552270 (CHEMBL4741390) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(CCc2ccccc2)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552266 (CHEMBL4753948) Show SMILES COC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552273 (CHEMBL4763576) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(I)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50461717 (CHEMBL4225532) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H22BrN3O5S/c25-20-10-12-21(13-11-20)34(32,33)28-15-14-27(16-22(28)23(29)26-31)24(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,22,31H,14-16H2,(H,26,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552258 (CHEMBL4759772) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552261 (CHEMBL4797275) Show SMILES COC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552252 (CHEMBL4787612) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(I)cc1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552274 (CHEMBL4747594) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552267 (CHEMBL4749198) Show SMILES CNC(=O)C1CN(CCN1S(=O)(=O)c1cccc(c1)-c1cccnc1OC)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552262 (CHEMBL4746210) Show SMILES ONC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(I)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552260 (CHEMBL4786923) Show SMILES ONC(=O)C1CN(Cc2ccc(cc2)-c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552257 (CHEMBL4744749) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1cccc2ccccc12 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552253 (CHEMBL4748768) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552254 (CHEMBL4760331) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccsc1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552256 (CHEMBL4743581) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)C#C)C(=O)c1ccc(I)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552276 (CHEMBL4779972) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cc2ccccc2)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552277 (CHEMBL4795927) Show SMILES ONC(=O)C1CNCCN1S(=O)(=O)c1ccc(cc1)C#C Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552259 (CHEMBL4793336) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)C#C)C(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Falcilysin (Plasmodium falciparum (isolate 3D7))	BDBM50552255 (CHEMBL4783383) Show SMILES ONC(=O)C1CN(CCN1S(=O)(=O)c1ccc(Br)cc1)C(=O)c1ccc(I)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum FLN				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127683 BindingDB Entry DOI: 10.7270/Q25B064W
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222546 (CHEMBL241779 | tetralithium (2S)-2-(phosphonatoami...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])([O-])=O)C([O-])=O Show InChI InChI=1S/C5H10NO7P/c7-4(8)2-1-3(5(9)10)6-14(11,12)13/h3H,1-2H2,(H,7,8)(H,9,10)(H3,6,11,12,13)/p-4/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222549 ((S)-2-phosphonoamino-pentanedioic acid | CHEMBL238...) Show SMILES OC(=O)CC[C@H](NP(O)(O)=O)C(O)=O Show InChI InChI=1S/C5H10NO7P/c7-4(8)2-1-3(5(9)10)6-14(11,12)13/h3H,1-2H2,(H,7,8)(H,9,10)(H3,6,11,12,13)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Urea transporter 1 (Homo sapiens (Human))	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in human erythrocytes assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urea transporter 1 (Mus musculus)	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urea transporter 1 (Mus musculus)	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in wild type CD1 mouse erythrocyte assessed as hemolysis after 10 mins				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Urea transporter 1 (Mus musculus)	BDBM50394961 (CHEMBL2165788) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)12-4-6-14(7-5-12)32(28,29)19-18-24-17(23-11-13-3-2-9-30-13)16-15(8-10-31-16)27(18)26-25-19/h2-10H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50394961 (CHEMBL2165788) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)12-4-6-14(7-5-12)32(28,29)19-18-24-17(23-11-13-3-2-9-30-13)16-15(8-10-31-16)27(18)26-25-19/h2-10H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in wild type CD1 mouse erythrocyte assessed as hemolysis after 10 mins				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222551 (CHEMBL241780 | tetralithium (2S)-2-(phosphonatooxy...) Show SMILES [O-]C(=O)CC[C@H](OP([O-])([O-])=O)C([O-])=O Show InChI InChI=1S/C5H9O8P/c6-4(7)2-1-3(5(8)9)13-14(10,11)12/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)/p-4/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50394961 (CHEMBL2165788) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)12-4-6-14(7-5-12)32(28,29)19-18-24-17(23-11-13-3-2-9-30-13)16-15(8-10-31-16)27(18)26-25-19/h2-10H,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B-mediated urea transport in wild type CD1 mouse erythrocytes incubated for 10 mins prior to urea addition by Stopped-flow light sca...				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50394962 (CHEMBL1394231) Show SMILES CCc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Reversible inhibition of mouse UT-B-mediated urea transport				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Anoctamin-1 (Homo sapiens (Human))	BDBM50239459 (CHEMBL4074929) Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12 Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50394964 (CHEMBL1590659) Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C18H12BrN5O2S3/c19-11-3-5-13(6-4-11)29(25,26)18-17-21-16(20-10-12-2-1-8-27-12)15-14(7-9-28-15)24(17)23-22-18/h1-9H,10H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in wild type CD1 mouse erythrocyte assessed as hemolysis after 10 mins				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222550 (CHEMBL239882 | tetrapotassium (3S,8S)-6-oxido-1-ox...) Show SMILES [O-]C(=O)CC[C@H](NP([O-])(=O)OC[C@H](NC(=O)c1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C15H19N2O10P/c18-12(19)7-6-10(14(21)22)17-28(25,26)27-8-11(15(23)24)16-13(20)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,20)(H,18,19)(H,21,22)(H,23,24)(H2,17,25,26)/p-4/t10-,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435308 (CHEMBL2391344) Show SMILES Cc1csc(CNc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(cc2)C(C)(F)F)c1 Show InChI InChI=1S/C21H17F2N5O2S3/c1-12-9-14(32-11-12)10-24-18-17-16(7-8-31-17)28-19(25-18)20(26-27-28)33(29,30)15-5-3-13(4-6-15)21(2,22)23/h3-9,11H,10H2,1-2H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50435309 (CHEMBL2391345) Show SMILES CC(F)(F)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccsc3)nc12 Show InChI InChI=1S/C20H15F2N5O2S3/c1-20(21,22)13-2-4-14(5-3-13)32(28,29)19-18-24-17(23-10-12-6-8-30-11-12)16-15(7-9-31-16)27(18)26-25-19/h2-9,11H,10H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis				Bioorg Med Chem Lett 23: 3338-41 (2013) Article DOI: 10.1016/j.bmcl.2013.03.089 BindingDB Entry DOI: 10.7270/Q2CR5VRQ
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50222542 (CHEMBL238831 | tetrapotassium (3S,8S)-2-methyl-6-o...) Show SMILES CN([C@@H](COP([O-])(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H21N2O10P/c1-18(14(21)10-5-3-2-4-6-10)12(16(24)25)9-28-29(26,27)17-11(15(22)23)7-8-13(19)20/h2-6,11-12H,7-9H2,1H3,(H,19,20)(H,22,23)(H,24,25)(H2,17,26,27)/p-4/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of PSMA				Bioorg Med Chem 15: 7434-43 (2007) Article DOI: 10.1016/j.bmc.2007.07.028 BindingDB Entry DOI: 10.7270/Q2057FMF
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50239465 (CHEMBL4080525 | US11274074, Control [Ani9]) Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 20 mins followed by ...				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50239467 (CHEMBL4086165) Show SMILES COc1cc(Nc2ccc(cc2C(O)=O)[N+]([O-])=O)cc2ccccc12 Show InChI InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of TMEM16A (unknown origin) expressed in Xenopus laevis oocytes at -60 mV holding potential by voltage-clamp assay				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50239459 (CHEMBL4074929) Show SMILES Cc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)Br)sc2CCCCCc12 Show InChI InChI=1S/C19H19BrF2N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in A...				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair
Urea transporter 1 (Mus musculus)	BDBM50394967 (CHEMBL2165784) Show SMILES COc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3cccs3)nc12 Show InChI InChI=1S/C19H15N5O3S3/c1-27-12-4-6-14(7-5-12)30(25,26)19-18-21-17(20-11-13-3-2-9-28-13)16-15(8-10-29-16)24(18)23-22-19/h2-10H,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of UT-B in wild type CD1 mouse erythrocyte assessed as hemolysis after 10 mins				J Med Chem 55: 5942-50 (2012) Article DOI: 10.1021/jm300491y BindingDB Entry DOI: 10.7270/Q29Z961D
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50239465 (CHEMBL4080525 | US11274074, Control [Ani9]) Show SMILES COc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C Show InChI InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50372201 (CHEMBL270610) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCCCOP([O-])(=O)N[C@@H](CCC([O-])=O)C([O-])=O Show InChI InChI=1S/C35H62NO8P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-22-26(16-18-34(25,4)30(27)17-19-35(28,29)5)43-20-7-21-44-45(41,42)36-31(33(39)40)14-15-32(37)38/h23-31H,6-22H2,1-5H3,(H,37,38)(H,39,40)(H2,36,41,42)/p-3/t24-,25?,26+,27+,28-,29+,30+,31+,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of human PSMA				Bioorg Med Chem Lett 18: 281-4 (2008) Article DOI: 10.1016/j.bmcl.2007.10.096 BindingDB Entry DOI: 10.7270/Q2N29XS3
					More data for this Ligand-Target Pair
Anoctamin-1 (Homo sapiens (Human))	BDBM50239433 (CHEMBL3134585) Show SMILES FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
San Francisco State University Curated by ChEMBL					Assay Description Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by A...				J Med Chem 60: 4626-4635 (2017) Article DOI: 10.1021/acs.jmedchem.7b00020 BindingDB Entry DOI: 10.7270/Q2FT8P5G
					More data for this Ligand-Target Pair

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