Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family B member 6' AND taxid = 9606   

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-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM47475 (2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-bis(ox...) Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:19.20| Show InChI InChI=1S/C27H25N3O6S/c1-3-29(4-2)37(35,36)19-11-9-10-18(16-19)30-25(31)21-13-6-5-12-20(21)23(26(30)32)17-28-24-15-8-7-14-22(24)27(33)34/h5-17,32H,3-4H2,1-2H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM67355 (2-benzylsulfonyl-5-chloro-N-(4-fluorophenyl)pyrimi...) Show SMILES Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C18H13ClFN3O3S/c19-15-10-21-18(27(25,26)11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.28E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM71445 (2-benzylsulfonyl-5-chloro-N-(4-methylphenyl)pyrimi...) Show SMILES Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C19H16ClN3O3S/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM54482 (5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)...) Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1 Show InChI InChI=1S/C19H15ClFN3O3S/c1-12-3-2-4-13(9-12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.04E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM71449 (5-chloranyl-N-(2,6-dimethylphenyl)-2-[(3-methylphe...) Show SMILES Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2c(C)cccc2C)c1 Show InChI InChI=1S/C21H20ClN3O3S/c1-13-6-4-9-16(10-13)12-29(27,28)21-23-11-17(22)19(25-21)20(26)24-18-14(2)7-5-8-15(18)3/h4-11H,12H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.45E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM58598 (4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine...) Show SMILES COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1 Show InChI InChI=1S/C21H18ClN3O5S/c1-13-4-3-5-14(10-13)12-31(28,29)21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)30-2/h3-11H,12H2,1-2H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.42E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM91489 (MLS002701786 | SMR001565380 | [2-keto-3-[(trimethy...) Show SMILES C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O Show InChI InChI=1S/C14H30N2O/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h12-13H,7-11H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	4.14E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family B member 6 (Homo sapiens (Human))	BDBM71446 (2-benzylsulfonyl-5-chloro-N-(3-methylphenyl)pyrimi...) Show SMILES Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1 Show InChI InChI=1S/C19H16ClN3O3S/c1-13-6-5-9-15(10-13)22-18(24)17-16(20)11-21-19(23-17)27(25,26)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GQ6WBQ
					More data for this Ligand-Target Pair