Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'Ezrin'   

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
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509994 (CHEMBL4449346) Show SMILES OCc1ccccc1NC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509991 (CHEMBL4539177) Show SMILES OCc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-17-8-11-21-19(13-17)20(12-15-4-2-1-3-5-15)22(26-21)23(28)25-18-9-6-16(14-27)7-10-18/h1-11,13,26-27H,12,14H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509988 (CHEMBL4584542) Show SMILES OCc1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C16H13ClN2O2/c17-11-4-5-15-13(7-11)14(8-18-15)16(21)19-12-3-1-2-10(6-12)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509997 (CHEMBL4527356) Show SMILES OCc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-6-16-14(7-13)15(9-19-16)17(22)20-8-11-1-3-12(10-21)4-2-11/h1-7,9,19,21H,8,10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509989 (CHEMBL4536754) Show SMILES OC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C16H11ClN2O3/c17-11-3-6-13-10(7-11)8-14(19-13)15(20)18-12-4-1-9(2-5-12)16(21)22/h1-8,19H,(H,18,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509991 (CHEMBL4539177) Show SMILES OCc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-17-8-11-21-19(13-17)20(12-15-4-2-1-3-5-15)22(26-21)23(28)25-18-9-6-16(14-27)7-10-18/h1-11,13,26-27H,12,14H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50510000 (CHEMBL4456805) Show SMILES CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H14BrNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509999 (CHEMBL2363137) Show SMILES Cc1cc(ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl)[N+]([O-])=O Show InChI InChI=1S/C13H10Cl2N2O4S/c1-8-6-10(17(18)19)3-5-12(8)16-22(20,21)13-7-9(14)2-4-11(13)15/h2-7,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509989 (CHEMBL4536754) Show SMILES OC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C16H11ClN2O3/c17-11-3-6-13-10(7-11)8-14(19-13)15(20)18-12-4-1-9(2-5-12)16(21)22/h1-8,19H,(H,18,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509995 (CHEMBL4455336) Show SMILES OC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509993 (CHEMBL4473926) Show SMILES OC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-3-6-14-12(7-10)13(8-18-14)15(20)19-11-4-1-9(2-5-11)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509996 (CHEMBL4546428) Show SMILES OCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-5-6-14-11(7-12)8-15(18-14)16(21)19-13-4-2-1-3-10(13)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM35617 (5-chloroindolecarboxamide, 2a) Show SMILES OCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509990 (CHEMBL4436448) Show SMILES OCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-4-5-14-11(7-12)8-15(19-14)16(21)18-13-3-1-2-10(6-13)9-20/h1-8,19-20H,9H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509992 (CHEMBL4439563) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c[nH]c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C18H15ClN2O4/c19-11-3-6-15-13(8-11)14(9-20-15)17(23)21-16(18(24)25)7-10-1-4-12(22)5-2-10/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509985 (CHEMBL4588868) Show SMILES OC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-5-14-12(7-10)13(8-18-14)15(20)19-11-3-1-2-9(6-11)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509986 (CHEMBL4453345) Show SMILES OCc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C17H15ClN2O2/c18-14-5-6-15-13(7-14)8-16(20-15)17(22)19-9-11-1-3-12(10-21)4-2-11/h1-8,20-21H,9-10H2,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509987 (CHEMBL4454568) Show SMILES OC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 Show InChI InChI=1S/C16H11ClN2O3/c17-11-4-5-13-10(6-11)8-14(19-13)15(20)18-12-3-1-2-9(7-12)16(21)22/h1-8,19H,(H,18,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509988 (CHEMBL4584542) Show SMILES OCc1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C16H13ClN2O2/c17-11-4-5-15-13(7-11)14(8-18-15)16(21)19-12-3-1-2-10(6-12)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509994 (CHEMBL4449346) Show SMILES OCc1ccccc1NC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509997 (CHEMBL4527356) Show SMILES OCc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-6-16-14(7-13)15(9-19-16)17(22)20-8-11-1-3-12(10-21)4-2-11/h1-7,9,19,21H,8,10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509991 (CHEMBL4539177) Show SMILES OCc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cc2ccccc2)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-17-8-11-21-19(13-17)20(12-15-4-2-1-3-5-15)22(26-21)23(28)25-18-9-6-16(14-27)7-10-18/h1-11,13,26-27H,12,14H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509998 (CHEMBL4458535) Show SMILES OCc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H13ClN2O2/c17-11-3-6-15-13(7-11)14(8-18-15)16(21)19-12-4-1-10(9-20)2-5-12/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509996 (CHEMBL4546428) Show SMILES OCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-5-6-14-11(7-12)8-15(18-14)16(21)19-13-4-2-1-3-10(13)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM35617 (5-chloroindolecarboxamide, 2a) Show SMILES OCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-3-6-14-11(7-12)8-15(19-14)16(21)18-13-4-1-10(9-20)2-5-13/h1-8,19-20H,9H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509995 (CHEMBL4455336) Show SMILES OC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-5-6-12-9(7-10)8-14(18-12)15(20)19-13-4-2-1-3-11(13)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509990 (CHEMBL4436448) Show SMILES OCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 Show InChI InChI=1S/C16H13ClN2O2/c17-12-4-5-14-11(7-12)8-15(19-14)16(21)18-13-3-1-2-10(6-13)9-20/h1-8,19-20H,9H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509993 (CHEMBL4473926) Show SMILES OC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-3-6-14-12(7-10)13(8-18-14)15(20)19-11-4-1-9(2-5-11)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509985 (CHEMBL4588868) Show SMILES OC(=O)c1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C16H11ClN2O3/c17-10-4-5-14-12(7-10)13(8-18-14)15(20)19-11-3-1-2-9(6-11)16(21)22/h1-8,18H,(H,19,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509987 (CHEMBL4454568) Show SMILES OC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 Show InChI InChI=1S/C16H11ClN2O3/c17-11-4-5-13-10(6-11)8-14(19-13)15(20)18-12-3-1-2-9(7-12)16(21)22/h1-8,19H,(H,18,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509986 (CHEMBL4453345) Show SMILES OCc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C17H15ClN2O2/c18-14-5-6-15-13(7-14)8-16(20-15)17(22)19-9-11-1-3-12(10-21)4-2-11/h1-8,20-21H,9-10H2,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509992 (CHEMBL4439563) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c[nH]c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C18H15ClN2O4/c19-11-3-6-15-13(8-11)14(9-20-15)17(23)21-16(18(24)25)7-10-1-4-12(22)5-2-10/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509989 (CHEMBL4536754) Show SMILES OC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 Show InChI InChI=1S/C16H11ClN2O3/c17-11-3-6-13-10(7-11)8-14(19-13)15(20)18-12-4-1-9(2-5-12)16(21)22/h1-8,19H,(H,18,20)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509988 (CHEMBL4584542) Show SMILES OCc1cccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C16H13ClN2O2/c17-11-4-5-15-13(7-11)14(8-18-15)16(21)19-12-3-1-2-10(6-12)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509994 (CHEMBL4449346) Show SMILES OCc1ccccc1NC(=O)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509997 (CHEMBL4527356) Show SMILES OCc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C17H15ClN2O2/c18-13-5-6-16-14(7-13)15(9-19-16)17(22)20-8-11-1-3-12(10-21)4-2-11/h1-7,9,19,21H,8,10H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50509998 (CHEMBL4458535) Show SMILES OCc1ccc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H13ClN2O2/c17-11-3-6-15-13(7-11)14(8-18-15)16(21)19-12-4-1-10(9-20)2-5-12/h1-8,18,20H,9H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of...				ACS Med Chem Lett 10: 499-503 (2019) Article DOI: 10.1021/acsmedchemlett.8b00532 BindingDB Entry DOI: 10.7270/Q24J0JDC
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50555258 (CHEMBL4789294) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NHERF1 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01528 BindingDB Entry DOI: 10.7270/Q24F1VDF
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50555257 (CHEMBL4763464) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)(C)S)C(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NHERF1 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01528 BindingDB Entry DOI: 10.7270/Q24F1VDF
					More data for this Ligand-Target Pair
Na(+)/H(+) exchange regulatory cofactor NHE-RF1 (Homo sapiens)	BDBM50555256 (CHEMBL4756115) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(C)(C)S)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(O)=O)C(C)(C)C |r,wU:71.75,11.11,7.6,1.1,wD:82.86,60.64,49.53,34.36,20.20,3.130,126.134,137.148,(16.99,-7.95,;16.99,-9.49,;18.32,-10.26,;15.66,-10.26,;15.66,-11.8,;16.99,-12.57,;18.32,-11.8,;16.99,-14.11,;18.32,-14.88,;19.66,-14.11,;19.66,-12.57,;20.99,-14.88,;20.99,-16.42,;19.66,-17.19,;19.66,-18.73,;20.99,-19.5,;18.32,-19.5,;22.33,-14.11,;23.66,-14.88,;23.66,-16.42,;24.99,-14.11,;24.99,-12.57,;23.66,-11.8,;22.25,-12.43,;21.22,-11.29,;21.99,-9.95,;21.52,-8.5,;22.54,-7.36,;24.05,-7.68,;24.52,-9.14,;23.49,-10.28,;26.33,-14.88,;27.66,-14.11,;27.66,-12.57,;28.99,-14.88,;30.33,-14.11,;30.33,-12.57,;29.01,-11.8,;29,-10.28,;30.34,-9.5,;30.34,-7.97,;31.66,-7.2,;33,-7.97,;33,-9.51,;31.67,-10.28,;31.67,-11.8,;28.99,-16.42,;30.33,-17.19,;31.66,-16.42,;30.33,-18.73,;31.66,-19.5,;32.99,-18.73,;34.33,-19.5,;35.66,-18.73,;37,-19.5,;38.33,-18.73,;37,-21.04,;28.99,-19.5,;28.99,-21.04,;30.33,-21.81,;27.66,-21.81,;27.66,-23.35,;28.99,-24.12,;30.33,-23.35,;31.66,-24.12,;32.99,-23.35,;34.33,-24.12,;32.99,-21.81,;26.33,-21.04,;24.99,-21.81,;23.66,-21.04,;24.99,-23.35,;26.33,-24.12,;26.33,-25.66,;27.66,-26.43,;27.66,-27.97,;28.99,-28.74,;28.99,-30.28,;30.33,-27.97,;23.66,-24.12,;22.33,-23.35,;22.33,-21.81,;20.99,-24.12,;20.99,-25.66,;19.66,-26.43,;19.66,-23.35,;18.32,-24.12,;18.32,-25.66,;16.99,-23.35,;15.66,-24.12,;14.32,-23.35,;12.99,-24.12,;12.99,-25.66,;11.66,-23.35,;10.32,-24.12,;10.33,-25.65,;9,-26.42,;7.66,-25.65,;7.66,-24.11,;8.99,-23.34,;6.56,-23.01,;6.95,-21.53,;5.07,-23.42,;6.33,-26.43,;4.99,-25.66,;4.99,-24.13,;3.67,-23.37,;2.34,-24.13,;1.01,-23.36,;2.34,-25.66,;3.66,-26.42,;3.66,-27.96,;4.99,-28.73,;4.99,-30.27,;6.32,-31.05,;6.32,-32.59,;7.66,-30.28,;7.67,-28.73,;6.33,-27.96,;15.66,-14.88,;15.66,-16.42,;14.31,-15.64,;14.32,-14.11,;14.32,-9.49,;14.32,-7.95,;12.99,-10.26,;11.66,-9.49,;11.66,-7.95,;12.99,-7.18,;12.99,-5.64,;14.32,-4.87,;14.32,-3.33,;12.99,-2.56,;15.66,-2.56,;10.32,-10.26,;10.32,-11.8,;8.99,-9.49,;7.65,-10.26,;7.65,-11.8,;8.99,-12.57,;6.32,-12.57,;6.32,-9.49,;4.99,-10.26,;6.32,-7.95,;4.98,-8.72,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NHERF1 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based comp...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01528 BindingDB Entry DOI: 10.7270/Q24F1VDF
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50106508 (7-[2-(3,5-Dibromo-4-hydroxy-phenyl)-ethylamino]-qu...) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:5.5| Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445470 (CHEMBL3104716) Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2cnccc12 |w:4.3| Show InChI InChI=1S/C17H12Br2N2O3/c18-12-5-9(6-13(19)17(12)24)1-4-21-14-7-15(22)10-2-3-20-8-11(10)16(14)23/h2-8,22-24H,1H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.01E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445469 (CHEMBL3104721) Show SMILES Oc1cc(N=CCc2cccc(Br)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H13BrN2O2/c18-12-4-1-3-11(9-12)6-8-19-14-10-15(21)13-5-2-7-20-16(13)17(14)22/h1-5,7-10,21-22H,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445468 (CHEMBL3104722) Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Cl |w:8.8| Show InChI InChI=1S/C18H15ClN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445467 (CHEMBL3104723) Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Br |w:8.8| Show InChI InChI=1S/C18H15BrN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.74E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445466 (CHEMBL3104724) Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1 |w:7.7| Show InChI InChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8-10,20-22H,7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445465 (CHEMBL3104725) Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1O |w:7.7| Show InChI InChI=1S/C17H14N2O4/c20-13-4-3-10(8-15(13)22)5-7-18-12-9-14(21)11-2-1-6-19-16(11)17(12)23/h1-4,6-9,20-23H,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445464 (CHEMBL3104728) Show SMILES Oc1cc(N=CCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C31H26N2O4/c34-27-19-26(31(35)30-25(27)12-7-16-33-30)32-17-15-22-13-14-28(36-20-23-8-3-1-4-9-23)29(18-22)37-21-24-10-5-2-6-11-24/h1-14,16-19,34-35H,15,20-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.53E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445463 (CHEMBL3104729) Show SMILES Oc1cc(N=CCc2cc(Cl)c(O)c(Cl)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12Cl2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair
Ezrin (Homo sapiens (Human))	BDBM50445462 (CHEMBL3104730) Show SMILES Oc1cc(N=CCc2cc(F)c(O)c(F)c2)c(O)c2ncccc12 |w:4.3| Show InChI InChI=1S/C17H12F2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.99E+4	n/a	n/a	n/a	n/a	n/a
George Mason University Curated by ChEMBL					Assay Description Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry				Bioorg Med Chem 22: 478-87 (2013) Article DOI: 10.1016/j.bmc.2013.11.003 BindingDB Entry DOI: 10.7270/Q21Z45WT
					More data for this Ligand-Target Pair

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