Compile Data Set for Download or QSAR

Found 803 hits Enz. Inhib. hit(s) with all data for entry = 4050   

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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44606 (5-(4-bromophenyl)-7-thiophen-2-yl-1,5,6,7-tetrahyd...) Show SMILES Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H14BrN5S/c16-10-5-3-9(4-6-10)11-8-12(13-2-1-7-22-13)21-15(18-11)19-14(17)20-21/h1-7,11-12H,8H2,(H3,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44607 (1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xa...) Show SMILES COc1ccc(CNc2nc3n(C)c(=O)n(Cc4ccc(Br)cc4)c(=O)c3n2C)cc1 Show InChI InChI=1S/C22H22BrN5O3/c1-26-18-19(25-21(26)24-12-14-6-10-17(31-3)11-7-14)27(2)22(30)28(20(18)29)13-15-4-8-16(23)9-5-15/h4-11H,12-13H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM32048 (MLS000042345 | N-[(1S)-2-(1,3-benzodioxol-5-ylamin...) Show SMILES C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C23H27N3O6S/c1-15-3-6-19(7-4-15)33(29,30)26-11-9-17(10-12-26)23(28)24-16(2)22(27)25-18-5-8-20-21(13-18)32-14-31-20/h3-8,13,16-17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44608 (MLS000082806 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4...) Show SMILES CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 Show InChI InChI=1S/C21H29N5O3S/c1-3-19-23-24-21(30-19)22-18(27)8-9-20(28)26-12-10-25(11-13-26)14-15-29-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44609 (5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxyph...) Show SMILES COc1ccccc1-c1nc(C#N)c(o1)N1CCc2ccccc2C1 Show InChI InChI=1S/C20H17N3O2/c1-24-18-9-5-4-8-16(18)19-22-17(12-21)20(25-19)23-11-10-14-6-2-3-7-15(14)13-23/h2-9H,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM31697 (4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-N-(...) Show SMILES Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 Show InChI InChI=1S/C20H27N5O3S/c1-15-3-5-17(6-4-15)28-14-13-24-9-11-25(12-10-24)19(27)8-7-18(26)21-20-23-22-16(2)29-20/h3-6H,7-14H2,1-2H3,(H,21,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.28E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44610 (MLS000082553 | SMR000045062 | cid_664125) Show SMILES O=c1c2c(nc3[nH]nc(SCC#N)n13)-c1ccccc1CC21CCCC1 Show InChI InChI=1S/C19H17N5OS/c20-9-10-26-18-23-22-17-21-15-13-6-2-1-5-12(13)11-19(7-3-4-8-19)14(15)16(25)24(17)18/h1-2,5-6H,3-4,7-8,10-11H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44611 (4-[4-(4-chlorobenzyl)piperazino]-N-(5-ethyl-1,3,4-...) Show SMILES CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1 Show InChI InChI=1S/C19H24ClN5O2S/c1-2-17-22-23-19(28-17)21-16(26)7-8-18(27)25-11-9-24(10-12-25)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3,(H,21,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44612 (2,2-dimethyl-N-[(2-oxidanylidene-1H-quinolin-3-yl)...) Show SMILES CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C Show InChI InChI=1S/C18H24N2O2/c1-12(2)20(17(22)18(3,4)5)11-14-10-13-8-6-7-9-15(13)19-16(14)21/h6-10,12H,11H2,1-5H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.93E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44613 (4-(2,6-dimethyl-4-oxidanylidene-5-phenyl-pyrimidin...) Show SMILES Cc1nc(=O)c(c(C)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-12-17(14-6-4-3-5-7-14)18(22)20-13(2)21(12)15-8-10-16(11-9-15)25(19,23)24/h3-11H,1-2H3,(H2,19,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.25E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM38912 (7-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-d...) Show SMILES NC1C2CN(CC12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F Show InChI InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PCBioAssay	n/a	n/a	n/a	n/a	<195	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44614 (2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-...) Show SMILES Cc1cccc(NC(=O)Cn2c3sc4COC(C)(C)Cc4c3c(=N)n(Cc3ccco3)c2=O)c1 Show InChI InChI=1S/C25H26N4O4S/c1-15-6-4-7-16(10-15)27-20(30)13-29-23-21(18-11-25(2,3)33-14-19(18)34-23)22(26)28(24(29)31)12-17-8-5-9-32-17/h4-10,26H,11-14H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44615 (3-methyl-6-(4-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,...) Show SMILES Cc1nnc2sc(nn12)-c1ccncc1 Show InChI InChI=1S/C9H7N5S/c1-6-11-12-9-14(6)13-8(15-9)7-2-4-10-5-3-7/h2-5H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44616 (3-[(E)-cinnamyl]-9-(4-fluorophenyl)-1-methyl-7,8-d...) Show SMILES Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c1-27-21-20(22(31)30(24(27)32)14-5-9-17-7-3-2-4-8-17)29-16-6-15-28(23(29)26-21)19-12-10-18(25)11-13-19/h2-5,7-13H,6,14-16H2,1H3/b9-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44617 (3-amino-6-(2-furanyl)-N-(2-methoxyphenyl)-2-thieno...) Show SMILES COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1 Show InChI InChI=1S/C19H15N3O3S/c1-24-14-6-3-2-5-12(14)21-18(23)17-16(20)11-8-9-13(22-19(11)26-17)15-7-4-10-25-15/h2-10H,20H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44618 (1',3',9-trimethylspiro[1,2,3,4,4a,6-hexahydroquino...) Show SMILES CN1C(=O)N(C)C(=O)C2(Cc3cc4cc(C)ccc4nc3N3CCCCC23)C1=O Show InChI InChI=1S/C22H24N4O3/c1-13-7-8-16-14(10-13)11-15-12-22(17-6-4-5-9-26(17)18(15)23-16)19(27)24(2)21(29)25(3)20(22)28/h7-8,10-11,17H,4-6,9,12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44619 ((3aR,6aS)-5'-fluoranyl-5-(4-fluorophenyl)-1-[(4-hy...) Show SMILES Oc1c2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc34)c2c(O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H19F2N3O4/c27-14-3-6-16(7-4-14)31-23(33)21-20(11-13-1-8-17(32)9-2-13)30-26(22(21)24(31)34)18-12-15(28)5-10-19(18)29-25(26)35/h1-10,12,20,30,32-34H,11H2,(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.52E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44620 (MLS000084525 | SMR000047926 | cid_666655) Show SMILES COc1ncnc2c1oc1nc(CC(C)C)c3CCCCc3c21 Show InChI InChI=1S/C18H21N3O2/c1-10(2)8-13-11-6-4-5-7-12(11)14-15-16(23-17(14)21-13)18(22-3)20-9-19-15/h9-10H,4-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44621 ((1S,3R,3aR,6aS)-5-(4-fluorophenyl)-1-(4-hydroxyben...) Show SMILES Oc1c2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc34)c2c(O)n1-c1ccc(F)cc1 Show InChI InChI=1S/C26H20FN3O4/c27-15-7-9-16(10-8-15)30-23(32)21-20(13-14-5-11-17(31)12-6-14)29-26(22(21)24(30)33)18-3-1-2-4-19(18)28-25(26)34/h1-12,20,29,31-33H,13H2,(H,28,34)/t20-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.88E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44622 (2-(4-benzylpiperazin-1-yl)-7-(furan-2-yl)-4-methyl...) Show SMILES Cc1nc(nc2CC(CC(=O)c12)c1ccco1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-23-20(14-19(15-21(23)29)22-8-5-13-30-22)26-24(25-17)28-11-9-27(10-12-28)16-18-6-3-2-4-7-18/h2-8,13,19H,9-12,14-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44623 (MLS000083674 | SMR000048354 | cid_667061) Show SMILES Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC34)C2=O)cc1 Show InChI InChI=1S/C27H27N5O4/c1-17-9-11-18(12-10-17)16-32-25(35)27(24(34)29-26(32)36)15-19-22(30-13-5-2-3-7-20(27)30)28-21-8-4-6-14-31(21)23(19)33/h4,6,8-12,14,20H,2-3,5,7,13,15-16H2,1H3,(H,29,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.51E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44624 (MLS000054417 | N-(4-bromanyl-2-fluoranyl-phenyl)-2...) Show SMILES Fc1cc(Br)ccc1NC(=O)CSc1nnc[nH]1 Show InChI InChI=1S/C10H8BrFN4OS/c11-6-1-2-8(7(12)3-6)15-9(17)4-18-10-13-5-14-16-10/h1-3,5H,4H2,(H,15,17)(H,13,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.28E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44625 (MLS000098706 | N-(4-methylphenyl)-4-[(1-methyl-1,2...) Show SMILES Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1 Show InChI InChI=1S/C13H14N6S2/c1-9-3-5-10(6-4-9)14-12-15-11(7-20-12)8-21-13-16-17-18-19(13)2/h3-7H,8H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44626 (2-[(4-keto-6-methyl-2,3-dihydro-1H-cyclopenta[c]ch...) Show SMILES Cc1c(OCC(=O)OC(C)(C)C)ccc2c3CCCc3c(=O)oc12 Show InChI InChI=1S/C19H22O5/c1-11-15(22-10-16(20)24-19(2,3)4)9-8-13-12-6-5-7-14(12)18(21)23-17(11)13/h8-9H,5-7,10H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.59E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44627 (MLS000055885 | N,N,1-triethyl-2-[(4-keto-1,2,3-ben...) Show SMILES CCN(CC)S(=O)(=O)c1ccc2n(CC)c(SCn3nnc4ccccc4c3=O)nc2c1 Show InChI InChI=1S/C21H24N6O3S2/c1-4-25(5-2)32(29,30)15-11-12-19-18(13-15)22-21(26(19)6-3)31-14-27-20(28)16-9-7-8-10-17(16)23-24-27/h7-13H,4-6,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44628 (MLS000057683 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1...) Show SMILES CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1 Show InChI InChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)13-5-4-10-20(13)25(22,23)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,17,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44629 (5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ...) Show SMILES CCOC(=O)c1cnn(c1N)-c1ccccn1 Show InChI InChI=1S/C11H12N4O2/c1-2-17-11(16)8-7-14-15(10(8)12)9-5-3-4-6-13-9/h3-7H,2,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44630 (2-[2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.6]un...) Show SMILES Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O Show InChI InChI=1S/C20H25BrN4O4/c1-13-10-14(21)6-7-15(13)23-16(26)11-22-17(27)12-25-18(28)20(24-19(25)29)8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,22,27)(H,23,26)(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.25E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44631 (5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-[(2,2...) Show SMILES [H]C12CC(C(=O)OCC(=O)Nc3ccc4OC(F)(F)Oc4c3)C([H])(C1)C=C2 |c:28,THB:4:3:24:25.26| Show InChI InChI=1S/C17H15F2NO5/c18-17(19)24-13-4-3-11(7-14(13)25-17)20-15(21)8-23-16(22)12-6-9-1-2-10(12)5-9/h1-4,7,9-10,12H,5-6,8H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44632 (2-bromanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benza...) Show SMILES Cc1nnc(NC(=O)c2ccccc2Br)s1 Show InChI InChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44633 (2-[(2-benzyl-3-keto-isoindolin-1-yl)thio]acetic ac...) Show SMILES OC(=O)CSC1N(Cc2ccccc2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H15NO3S/c19-15(20)11-22-17-14-9-5-4-8-13(14)16(21)18(17)10-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44634 (3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic ...) Show SMILES Cc1onc(c1C(=O)OCC(=O)Nc1ccc2OCOc2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H15ClN2O6/c1-11-18(19(23-29-11)13-4-2-3-5-14(13)21)20(25)26-9-17(24)22-12-6-7-15-16(8-12)28-10-27-15/h2-8H,9-10H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.42E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM29631 (MLS000082179 | SMR000061522 | [3-amino-4-(1,3-benz...) Show SMILES CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1 Show InChI InChI=1S/C18H15N3OS3/c1-2-20-17-13(18-21-10-6-3-4-7-11(10)24-18)14(19)16(25-17)15(22)12-8-5-9-23-12/h3-9,20H,2,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44635 ((2Z)-2-[3-[2-(3-bromophenoxy)ethyl]-4-keto-thiazol...) Show SMILES CCOC(=O)\C=C1/SCC(=O)N1CCOc1cccc(Br)c1 Show InChI InChI=1S/C15H16BrNO4S/c1-2-20-15(19)9-14-17(13(18)10-22-14)6-7-21-12-5-3-4-11(16)8-12/h3-5,8-9H,2,6-7,10H2,1H3/b14-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44636 (1,3-benzodioxole-5-carboxylic acid [2-[2,5-dimethy...) Show SMILES Cc1cc(C(=O)COC(=O)c2ccc3OCOc3c2)c(C)n1Cc1cccs1 Show InChI InChI=1S/C21H19NO5S/c1-13-8-17(14(2)22(13)10-16-4-3-7-28-16)18(23)11-25-21(24)15-5-6-19-20(9-15)27-12-26-19/h3-9H,10-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44637 (2-(4-chloranylphenoxy)-1-[4-(2-methoxyphenyl)piper...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClN2O3/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44638 (3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl...) Show SMILES Cc1csc(n1)C(C#N)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C15H10N2O2S/c1-9-8-20-15(17-9)11(7-16)14(18)13-6-10-4-2-3-5-12(10)19-13/h2-6,8,11H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44639 (2,6-dimethyl-4-[2-[(4-methyl-2-oxido-1,2,5-oxadiaz...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1c(C)n[o+]n1[O-] |c:13,t:10| Show InChI InChI=1S/C21H23N3O7/c1-11-15(24(27)31-23-11)10-30-16-9-7-6-8-14(16)19-17(20(25)28-4)12(2)22-13(3)18(19)21(26)29-5/h6-9,17,19H,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44640 (4-(1-azepanylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol...) Show SMILES CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)s1 Show InChI InChI=1S/C17H22N4O3S2/c1-2-15-19-20-17(25-15)18-16(22)13-7-9-14(10-8-13)26(23,24)21-11-5-3-4-6-12-21/h7-10H,2-6,11-12H2,1H3,(H,18,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM30835 (3-(4-methoxyphenyl)-N-[3-(2-oxidanylidenepropyl)-1...) Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(CC(C)=O)ns1)-c1ccccc1 Show InChI InChI=1S/C22H19N5O3S/c1-14(28)12-19-23-22(31-26-19)24-21(29)18-13-27(16-6-4-3-5-7-16)25-20(18)15-8-10-17(30-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,23,24,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44641 (MLS000054117 | SMR000061524 | [3-amino-4-(1,3-benz...) Show SMILES CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1 Show InChI InChI=1S/C17H13N3OS3/c1-19-16-12(17-20-9-5-2-3-6-10(9)23-17)13(18)15(24-16)14(21)11-7-4-8-22-11/h2-8,19H,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44642 (4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-tr...) Show SMILES CCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(n2)N(C)C)cc1 Show InChI InChI=1S/C18H25N5O3/c1-7-25-14(24)12-8-10-13(11-9-12)26-17-20-15(22-18(2,3)4)19-16(21-17)23(5)6/h8-11H,7H2,1-6H3,(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44643 (3-cyclohexyl-5-(2-pyridin-4-yl-4-quinolinyl)-1,2,4...) Show SMILES C1CCC(CC1)c1noc(n1)-c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C22H20N4O/c1-2-6-16(7-3-1)21-25-22(27-26-21)18-14-20(15-10-12-23-13-11-15)24-19-9-5-4-8-17(18)19/h4-5,8-14,16H,1-3,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44644 (1-keto-2-nicotinamido-isoquinoline-4-carboxylic ac...) Show SMILES COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12 Show InChI InChI=1S/C17H13N3O4/c1-24-17(23)14-10-20(16(22)13-7-3-2-6-12(13)14)19-15(21)11-5-4-8-18-9-11/h2-10H,1H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44645 (5-(2,5-dimethoxyphenyl)-N-[3,5-dimethyl-1-(2-methy...) Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C Show InChI InChI=1S/C25H26N4O4/c1-15-8-6-7-9-18(15)14-29-17(3)24(16(2)27-29)26-25(30)21-13-23(33-28-21)20-12-19(31-4)10-11-22(20)32-5/h6-13H,14H2,1-5H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM42331 (6-bromanyl-N-[3-(dimethylamino)propyl]-3-(3,4-dime...) Show SMILES CN(C)CCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(C)c(C)c1 Show InChI InChI=1S/C22H27BrN4O3/c1-14-6-8-17(12-15(14)2)27-21(29)25-19-9-7-16(23)13-18(19)22(27,30)20(28)24-10-5-11-26(3)4/h6-9,12-13,30H,5,10-11H2,1-4H3,(H,24,28)(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44646 (4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrim...) Show SMILES CCOC(=O)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1cccc(OC)c1 Show InChI InChI=1S/C19H21F3N4O3/c1-3-29-18(27)26-9-7-25(8-10-26)17-23-15(12-16(24-17)19(20,21)22)13-5-4-6-14(11-13)28-2/h4-6,11-12H,3,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM34606 (1-(4-isopropylphenyl)-2-(4H-1,2,4-triazol-3-ylthio...) Show SMILES CC(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1 Show InChI InChI=1S/C13H15N3OS/c1-9(2)10-3-5-11(6-4-10)12(17)7-18-13-14-8-15-16-13/h3-6,8-9H,7H2,1-2H3,(H,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.17E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44647 (11-imino-N-phenyl-2,3,6,7-tetrahydro-1H,5H,11H-pyr...) Show SMILES N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc1ccccc1)c34 Show InChI InChI=1S/C22H21N3O2/c23-21-18(22(26)24-16-7-2-1-3-8-16)13-15-12-14-6-4-10-25-11-5-9-17(19(14)25)20(15)27-21/h1-3,7-8,12-13,23H,4-6,9-11H2,(H,24,26)/b23-21-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM44648 (2-[[2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)...) Show SMILES COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair

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