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PubMed code 9103511

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485567
PNG
(CHEMBL2075009)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12 |r|
Show InChI InChI=1S/C28H30N2O12/c1-3-12-13-7-11(41-26-22(34)20(32)21(33)23(42-26)25(36)37)5-6-17(13)29-19-14(12)9-30-18(19)8-16(15(10-31)24(30)35)28(40,4-2)27(38)39/h5-8,20-23,26,31-34,40H,3-4,9-10H2,1-2H3,(H,36,37)(H,38,39)/t20-,21-,22+,23-,26+,28-/m0/s1
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KEGG
PC cid
PC sid
UniChem
PubMed
 1.03E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat

J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485569
PNG
(CHEMBL1743143 | Glucuronidated Sn-38)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12 |r|
Show InChI InChI=1S/C29H30N2O11/c1-3-13-14-7-12(40-11-20-22(32)23(33)24(34)25(42-20)27(36)37)5-6-18(14)30-21-15(13)9-31-19(21)8-17-16(26(31)35)10-41-28(38)29(17,39)4-2/h5-8,20,22-25,32-34,39H,3-4,9-11H2,1-2H3,(H,36,37)/t20-,22-,23+,24-,25-,29-/m0/s1
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PubMed
 1.62E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat

J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485568
PNG
(CHEMBL2074578)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(O)cc12 |r|
Show InChI InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/t22-/m0/s1
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PubMed
 1.83E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat

J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Rattus norvegicus)		BDBM50485566
PNG
(CHEMBL2074712)
Show SMILES CCc1c2Cn3c(cc(c(CO)c3=O)[C@@](O)(CC)C(O)=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
Show InChI InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/t33-/m0/s1
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PubMed
 9.66E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat

J Pharmacol Exp Ther 281: 304-14 (1997)


BindingDB Entry DOI: 10.7270/Q2TT4TTJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%