Compile Data Set for Download or QSAR

Found 462 hits with Last Name = 'colas' and Initial = 'c'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26205 ((3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(2-ami...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H39N5O3/c1-2-23(31)27(35)33-26-21(17-18-30)13-14-22-15-16-24(34(22)29(26)37)28(36)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26H,2,13-18,30-31H2,1H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	220	-37.6	250	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26203 ((3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphe...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	250	-37.3	270	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50003399 (4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	420	-36.0	460	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM26204 ((3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(amino...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	870	-34.2	970	n/a	n/a	n/a	n/a	7.5	22
University of Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				J Mol Biol 384: 673-89 (2008) Article DOI: 10.1016/j.jmb.2008.09.064 BindingDB Entry DOI: 10.7270/Q2NG4NZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amino acid transporter (Rattus norvegicus)	BDBM50234288 (CHEMBL4085113) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)-c2ccccc2)CN1 |r| Show InChI InChI=1S/C18H19NO2.ClH/c20-18(21)17-11-14(12-19-17)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15;/h1-9,14,17,19H,10-12H2,(H,20,21);1H/t14-,17+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470054 (CHEMBL129225) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccnc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-20(22)17(13-26)25(18)12-14-7-9-15(10-8-14)16-5-4-11-23-19(16)21(27)28/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470049 (CHEMBL340682) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cnccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-4-19-24-20(22)18(13-26)25(19)12-14-5-7-15(8-6-14)17-11-23-10-9-16(17)21(27)28/h5-11,26H,2-4,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470051 (CHEMBL339044) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(o1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-8-18-22-16(12-24)19(21)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470050 (CHEMBL129170) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ncccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-20(22)17(13-26)25(18)12-14-7-9-15(10-8-14)19-16(21(27)28)5-4-11-23-19/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470052 (CHEMBL127108) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccoc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-4-17-22-19(21)16(12-24)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470060 (CHEMBL125789) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1cccnc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-17(13-26)20(22)25(18)12-14-7-9-15(10-8-14)16-5-4-11-23-19(16)21(27)28/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470055 (CHEMBL125790) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ncccc1C(O)=O Show InChI InChI=1S/C21H22ClN3O3/c1-2-3-6-18-24-17(13-26)20(22)25(18)12-14-7-9-15(10-8-14)19-16(21(27)28)5-4-11-23-19/h4-5,7-11,26H,2-3,6,12-13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470048 (CHEMBL128291) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1ccoc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-4-17-22-16(12-24)19(21)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470059 (CHEMBL338840) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O Show InChI InChI=1S/C20H22ClN3O3S/c1-3-4-5-16-23-19(21)15(11-25)24(16)10-13-6-8-14(9-7-13)17-18(20(26)27)28-12(2)22-17/h6-9,25H,3-5,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470047 (CHEMBL50135) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(s1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-8-18-22-19(21)16(12-24)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470057 (CHEMBL129336) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)-c1nc(C)sc1C(O)=O Show InChI InChI=1S/C20H22ClN3O3S/c1-3-4-5-16-23-15(11-25)19(21)24(16)10-13-6-8-14(9-7-13)17-18(20(26)27)28-12(2)22-17/h6-9,25H,3-5,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470058 (CHEMBL129005) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(o1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O4/c1-2-3-8-18-22-19(21)16(12-24)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt 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
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470053 (CHEMBL125621) Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(s1)-c1ccccc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-8-18-22-16(12-24)19(21)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor (RAT)	BDBM50470056 (CHEMBL129006) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccsc1C(O)=O Show InChI InChI=1S/C20H21ClN2O3S/c1-2-3-4-17-22-19(21)16(12-24)23(17)11-13-5-7-14(8-6-13)15-9-10-27-18(15)20(25)26/h5-10,24H,2-4,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Lusofarmaco Curated by ChEMBL					Assay Description Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)				J Med Chem 37: 3928-38 (1994) Article DOI: 10.1021/jm00049a012 BindingDB Entry DOI: 10.7270/Q2W098NX
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234283 (CHEMBL4060165) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Br)CN1 |r| Show InChI InChI=1S/C12H14BrNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL 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
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234285 (CHEMBL4083894) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(Cl)cc2Cl)CN1 |r| Show InChI InChI=1S/C12H13Cl2NO2.ClH/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7;/h1-2,5,7,11,15H,3-4,6H2,(H,16,17);1H/t7-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234284 (CHEMBL4083473) Show SMILES Cl.Cc1ccccc1C[C@H]1CN[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C13H17NO2.ClH/c1-9-4-2-3-5-11(9)6-10-7-12(13(15)16)14-8-10;/h2-5,10,12,14H,6-8H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234291 (CHEMBL4068819) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)c(F)c2)CN1 |r| Show InChI InChI=1S/C12H13F2NO2.ClH/c13-9-2-1-7(4-10(9)14)3-8-5-11(12(16)17)15-6-8;/h1-2,4,8,11,15H,3,5-6H2,(H,16,17);1H/t8-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234287 (CHEMBL4100876) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(c2)C(F)(F)F)CN1 |r| Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-2-8(5-10)4-9-6-11(12(18)19)17-7-9;/h1-3,5,9,11,17H,4,6-7H2,(H,18,19);1H/t9-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234280 (CHEMBL4071517) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1 |r| Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234279 (CHEMBL4078902) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2cccc(F)c2)CN1 |r| Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-3-1-2-8(5-10)4-9-6-11(12(15)16)14-7-9;/h1-3,5,9,11,14H,4,6-7H2,(H,15,16);1H/t9-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234278 (CHEMBL4103180) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1 |r| Show InChI InChI=1S/C12H14FNO2.ClH/c13-10-3-1-8(2-4-10)5-9-6-11(12(15)16)14-7-9;/h1-4,9,11,14H,5-7H2,(H,15,16);1H/t9-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234282 (CHEMBL4097017) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2Cl)CN1 |r| Show InChI InChI=1S/C12H14ClNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234286 (CHEMBL4064465) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2C(F)(F)F)CN1 |r| Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-4-2-1-3-9(10)5-8-6-11(12(18)19)17-7-8;/h1-4,8,11,17H,5-7H2,(H,18,19);1H/t8-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234292 (CHEMBL4080252) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccc(cc2)C(F)(F)F)CN1 |r| Show InChI InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234290 (CHEMBL4098554) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2[N+]([O-])=O)CN1 |r| Show InChI InChI=1S/C12H14N2O4.ClH/c15-12(16)10-6-8(7-13-10)5-9-3-1-2-4-11(9)14(17)18;/h1-4,8,10,13H,5-7H2,(H,15,16);1H/t8-,10+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.73E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Amino acid transporter (Rattus norvegicus)	BDBM50234289 (CHEMBL4068036) Show SMILES Cl.OC(=O)[C@@H]1C[C@@H](Cc2ccccc2)CN1 |r| Show InChI InChI=1S/C12H15NO2.ClH/c14-12(15)11-7-10(8-13-11)6-9-4-2-1-3-5-9;/h1-5,10-11,13H,6-8H2,(H,14,15);1H/t10-,11+;/m1./s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Binghamton University Curated by ChEMBL					Assay Description Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current...				Bioorg Med Chem Lett 27: 398-402 (2017) Article DOI: 10.1016/j.bmcl.2016.12.063 BindingDB Entry DOI: 10.7270/Q2HX1FXF
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538576 (CHEMBL4634092) Show SMILES Cc1cc(Cl)cc(c1C[C@@H]1CNCCO1)-c1ccnc2cc(CN3C(=O)C4CC4C3=O)sc12 |r| Show InChI InChI=1S/C25H24ClN3O3S/c1-13-6-14(26)7-19(18(13)8-15-11-27-4-5-32-15)17-2-3-28-22-9-16(33-23(17)22)12-29-24(30)20-10-21(20)25(29)31/h2-3,6-7,9,15,20-21,27H,4-5,8,10-12H2,1H3/t15-,20?,21?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538560 (CHEMBL4640002) Show SMILES Clc1cc2C[C@@H](Oc2c(c1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C25H23ClN4O4S/c26-15-9-14-10-20(25(33)29-7-5-27-6-8-29)34-23(14)18(11-15)17-3-4-28-19-12-16(35-24(17)19)13-30-21(31)1-2-22(30)32/h3-4,9,11-12,20,27H,1-2,5-8,10,13H2/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538571 (CHEMBL4635160) Show SMILES C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r| Show InChI InChI=1S/C28H30ClN3O3S/c1-14-9-16(29)10-19(24(14)35-21-6-7-30-12-15(21)2)18-5-8-31-20-11-17(36-25(18)20)13-32-26(33)22-23(27(32)34)28(22,3)4/h5,8-11,15,21-23,30H,6-7,12-13H2,1-4H3/t15-,21+,22?,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538572 (CHEMBL4649132) Show SMILES C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(Cn3c(=O)ccn(CC(F)(F)F)c3=O)sc12 |r| Show InChI InChI=1S/C27H26ClF3N4O3S/c1-15-9-17(28)10-20(24(15)38-22-4-6-32-12-16(22)2)19-3-7-33-21-11-18(39-25(19)21)13-35-23(36)5-8-34(26(35)37)14-27(29,30)31/h3,5,7-11,16,22,32H,4,6,12-14H2,1-2H3/t16-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538575 (CHEMBL4638458) Show SMILES C[C@H]1CNC[C@H](C)N1Cc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)CCC3=O)sc12 |r| Show InChI InChI=1S/C26H29ClN4O2S/c1-15-8-18(27)9-21(22(15)14-30-16(2)11-28-12-17(30)3)20-6-7-29-23-10-19(34-26(20)23)13-31-24(32)4-5-25(31)33/h6-10,16-17,28H,4-5,11-14H2,1-3H3/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538562 (CHEMBL4643330) Show SMILES Clc1cc2C[C@@H](Oc2c(c1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12)c1onc2CCNCc12 |r| Show InChI InChI=1S/C26H21ClN4O4S/c27-14-7-13-8-21(25-18-11-28-5-4-19(18)30-35-25)34-24(13)17(9-14)16-3-6-29-20-10-15(36-26(16)20)12-31-22(32)1-2-23(31)33/h3,6-7,9-10,21,28H,1-2,4-5,8,11-12H2/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538578 (CHEMBL4640729) Show SMILES C[C@@H]1CNC[C@@H](Cc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)O1 |r| Show InChI InChI=1S/C26H26ClN3O3S/c1-13-5-15(27)6-20(19(13)7-16-11-28-10-14(2)33-16)18-3-4-29-23-8-17(34-24(18)23)12-30-25(31)21-9-22(21)26(30)32/h3-6,8,14,16,21-22,28H,7,9-12H2,1-2H3/t14-,16-,21?,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538579 (CHEMBL4647217) Show SMILES Cc1cc(Cl)cc(c1C[C@@H]1CNCCO1)-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r| Show InChI InChI=1S/C27H28ClN3O3S/c1-14-8-15(28)9-20(19(14)10-16-12-29-6-7-34-16)18-4-5-30-21-11-17(35-24(18)21)13-31-25(32)22-23(26(31)33)27(22,2)3/h4-5,8-9,11,16,22-23,29H,6-7,10,12-13H2,1-3H3/t16-,22?,23?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538582 (CHEMBL4638998) Show SMILES Cc1cc(Cl)cc(c1NC1CCCNC1)-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 Show InChI InChI=1S/C27H29ClN4O2S/c1-14-9-15(28)10-19(23(14)31-16-5-4-7-29-12-16)18-6-8-30-20-11-17(35-24(18)20)13-32-25(33)21-22(26(32)34)27(21,2)3/h6,8-11,16,21-22,29,31H,4-5,7,12-13H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538563 (CHEMBL4648116) Show SMILES Cn1nc2CCNCc2c1[C@H]1Cc2cc(Cl)cc(c2O1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12 |r| Show InChI InChI=1S/C27H24ClN5O3S/c1-32-25(19-12-29-6-5-20(19)31-32)22-9-14-8-15(28)10-18(26(14)36-22)17-4-7-30-21-11-16(37-27(17)21)13-33-23(34)2-3-24(33)35/h4,7-8,10-11,22,29H,2-3,5-6,9,12-13H2,1H3/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538570 (CHEMBL4638573) Show SMILES C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4CC4C3=O)sc12 |r| Show InChI InChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-18(23(13)33-22-4-5-28-11-14(22)2)17-3-6-29-21-9-16(34-24(17)21)12-30-25(31)19-10-20(19)26(30)32/h3,6-9,14,19-20,22,28H,4-5,10-12H2,1-2H3/t14-,19?,20?,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401475 (CHEMBL2205248) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](C(=O)NCCNC(=O)CCC#CC#CCCC(=O)NCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N12)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C62H86N12O12/c1-5-45(63-3)55(79)71-53-41(37-75)25-27-43-29-31-47(73(43)61(53)85)57(81)69-51(39-19-13-11-14-20-39)59(83)67-35-33-65-49(77)23-17-9-7-8-10-18-24-50(78)66-34-36-68-60(84)52(40-21-15-12-16-22-40)70-58(82)48-32-30-44-28-26-42(38-76)54(62(86)74(44)48)72-56(80)46(6-2)64-4/h11-16,19-22,41-48,51-54,63-64,75-76H,5-6,17-18,23-38H2,1-4H3,(H,65,77)(H,66,78)(H,67,83)(H,68,84)(H,69,81)(H,70,82)(H,71,79)(H,72,80)/t41-,42-,43+,44+,45+,46+,47+,48+,51+,52+,53+,54+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538564 (CHEMBL4641569) Show SMILES Cc1cc(Cl)cc(c1O[C@@H]1CNC[C@@H]1F)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12 |r| Show InChI InChI=1S/C23H21ClFN3O3S/c1-12-6-13(24)7-16(22(12)31-19-10-26-9-17(19)25)15-4-5-27-18-8-14(32-23(15)18)11-28-20(29)2-3-21(28)30/h4-8,17,19,26H,2-3,9-11H2,1H3/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin carboxyl-terminal hydrolase 7 (Homo sapiens (Human))	BDBM50538583 (CHEMBL4643112) Show SMILES Cc1cc(Cl)cc(c1CC1CCCNC1)-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 Show InChI InChI=1S/C28H30ClN3O2S/c1-15-9-17(29)11-21(20(15)10-16-5-4-7-30-13-16)19-6-8-31-22-12-18(35-25(19)22)14-32-26(33)23-24(27(32)34)28(23,2)3/h6,8-9,11-12,16,23-24,30H,4-5,7,10,13-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
RAPT Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate ad...				J Med Chem 63: 5398-5420 (2020) Article DOI: 10.1021/acs.jmedchem.0c00245 BindingDB Entry DOI: 10.7270/Q2XK8K2T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50401484 (CHEMBL2204575) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)CCCCCCCCC(=O)NC[C@H]2CC[C@H]3CC[C@H](N3C(=O)[C@H]2NC(=O)[C@H](CC)NC)C(=O)NC(c2ccccc2)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C68H92N10O8/c1-5-53(69-3)63(81)75-61-49(35-37-51-39-41-55(77(51)67(61)85)65(83)73-59(45-25-15-11-16-26-45)46-27-17-12-18-28-46)43-71-57(79)33-23-9-7-8-10-24-34-58(80)72-44-50-36-38-52-40-42-56(78(52)68(86)62(50)76-64(82)54(6-2)70-4)66(84)74-60(47-29-19-13-20-30-47)48-31-21-14-22-32-48/h11-22,25-32,49-56,59-62,69-70H,5-10,23-24,33-44H2,1-4H3,(H,71,79)(H,72,80)(H,73,83)(H,74,84)(H,75,81)(H,76,82)/t49-,50-,51+,52+,53+,54+,55+,56+,61+,62+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione IRCCS Istituto Nazionale dei Tumori Curated by ChEMBL					Assay Description Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay				Bioorg Med Chem 20: 6709-23 (2012) Article DOI: 10.1016/j.bmc.2012.09.041 BindingDB Entry DOI: 10.7270/Q2P84D2Z
					More data for this Ligand-Target Pair

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