Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'lonikar' and Initial = 'n'   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238974 (CHEMBL4085670) Show SMILES Cc1cc(C)c2n(CCCCN3CCN(CCO)CC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C25H33N3O2/c1-19-17-20(2)24-22(18-19)25(30)21-7-3-4-8-23(21)28(24)10-6-5-9-26-11-13-27(14-12-26)15-16-29/h3-4,7-8,17-18,29H,5-6,9-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238973 (CHEMBL4064097) Show SMILES Cc1cc(C)c2n(CCCCN(CCO)CCO)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H30N2O3/c1-17-15-18(2)22-20(16-17)23(28)19-7-3-4-8-21(19)25(22)10-6-5-9-24(11-13-26)12-14-27/h3-4,7-8,15-16,26-27H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238970 (CHEMBL4094336) Show SMILES Cc1cc(C)c2n(CCCCN3CCOCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H28N2O2/c1-17-15-18(2)22-20(16-17)23(26)19-7-3-4-8-21(19)25(22)10-6-5-9-24-11-13-27-14-12-24/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238972 (CHEMBL4077817) Show SMILES CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c12 Show InChI InChI=1S/C23H30N2O/c1-5-24(6-2)13-9-10-14-25-21-12-8-7-11-19(21)23(26)20-16-17(3)15-18(4)22(20)25/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against man (human) plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238971 (CHEMBL4066830) Show SMILES Cc1cc(C)c2n(CCCCN3CCCCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H30N2O/c1-18-16-19(2)23-21(17-18)24(27)20-10-4-5-11-22(20)26(23)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238979 (CHEMBL4086583) Show SMILES Cc1cc(C)c2n(CCCN3CCN(CCO)CC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H31N3O2/c1-18-16-19(2)23-21(17-18)24(29)20-6-3-4-7-22(20)27(23)9-5-8-25-10-12-26(13-11-25)14-15-28/h3-4,6-7,16-17,28H,5,8-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238980 (CHEMBL4102080) Show SMILES CN1CCN(CCCCn2c3ccccc3c(=O)c3cc(C)cc(C)c23)CC1 Show InChI InChI=1S/C24H31N3O/c1-18-16-19(2)23-21(17-18)24(28)20-8-4-5-9-22(20)27(23)11-7-6-10-26-14-12-25(3)13-15-26/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238969 (CHEMBL4096764) Show SMILES Cc1cc(C)c2n(CCCN(CCO)CCO)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C22H28N2O3/c1-16-14-17(2)21-19(15-16)22(27)18-6-3-4-7-20(18)24(21)9-5-8-23(10-12-25)11-13-26/h3-4,6-7,14-15,25-26H,5,8-13H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238968 (CHEMBL4078738) Show SMILES CCN(CC)CCCn1c2ccccc2c(=O)c2cc(C)cc(C)c12 Show InChI InChI=1S/C22H28N2O/c1-5-23(6-2)12-9-13-24-20-11-8-7-10-18(20)22(25)19-15-16(3)14-17(4)21(19)24/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238977 (CHEMBL4073625) Show SMILES CN1CCN(CCCn2c3ccccc3c(=O)c3cc(C)cc(C)c23)CC1 Show InChI InChI=1S/C23H29N3O/c1-17-15-18(2)22-20(16-17)23(27)19-7-4-5-8-21(19)26(22)10-6-9-25-13-11-24(3)12-14-25/h4-5,7-8,15-16H,6,9-14H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238978 (CHEMBL4094253) Show SMILES Cc1cc(C)c2n(CCCN3CCCCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H28N2O/c1-17-15-18(2)22-20(16-17)23(26)19-9-4-5-10-21(19)25(22)14-8-13-24-11-6-3-7-12-24/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of dog plasma renin activity				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238976 (CHEMBL4099509) Show SMILES Cc1cc(C)c2n(CCCN3CCOCC3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C22H26N2O2/c1-16-14-17(2)21-19(15-16)22(25)18-6-3-4-7-20(18)24(21)9-5-8-23-10-12-26-13-11-23/h3-4,6-7,14-15H,5,8-13H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50238975 (CHEMBL4091769) Show SMILES Cc1cc(C)c2[nH]c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C15H13NO/c1-9-7-10(2)14-12(8-9)15(17)11-5-3-4-6-13(11)16-14/h3-8H,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SVKM's Dr. Bhanuben Nanavati College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after ...				Eur J Med Chem 130: 154-170 (2017) Article DOI: 10.1016/j.ejmech.2017.02.022 BindingDB Entry DOI: 10.7270/Q26D5W99
					More data for this Ligand-Target Pair