Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'khan' and Initial = 'im'   

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
Nicotinic acetylcholine receptor (RAT)	BDBM50107863 ((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...) Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50107863 ((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...) Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82546 (CAS_14721-69-8 | MCC | N-methylcarbamylcholine | N...) Show SMILES CNC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50061562 ((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...) Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50054820 (Methyllycaconitine | [(1S,4S,5R,6S,8R,9R,13S,16S,1...) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,42.46,36.39,44.48,39.43,wD:28.55,32.34,25.27,31.32,TLB:28:29:32:36.38.39,1:2:47:25.23.24,25:28:42.44:4.2.3,THB:42:48:47:25.23.24,29:28:42.44:4.2.3,2:48:36.35.29:47.44,(3.83,-6.7,;5.61,-4.92,;8.1,-4.92,;7.12,-7.5,;8.22,-6.42,;8.22,-7.94,;7.82,-9.45,;8.61,-10.78,;9.94,-10.01,;8.62,-12.33,;7.29,-13.1,;7.29,-14.64,;8.62,-15.41,;9.95,-14.64,;9.95,-13.1,;11.49,-13.09,;12.9,-13.7,;13.3,-15.19,;13.93,-12.55,;13.14,-11.22,;13.91,-9.88,;11.64,-11.55,;10.86,-10.2,;6.88,-5.65,;6.87,-4.11,;8.21,-3.34,;8.2,-1.8,;6.87,-1.03,;9.54,-4.11,;10.5,-3.18,;10.3,-1.71,;11.64,-1.06,;12.67,-2.15,;14.21,-2.15,;14.96,-3.46,;11.97,-3.45,;12.65,-4.9,;13.98,-5.67,;16.6,-3.1,;16.6,-1.56,;17.69,-.47,;19.02,-1.24,;11.93,-6.28,;12.7,-7.59,;10.46,-6.53,;10.06,-8.01,;11.39,-8.78,;9.55,-5.63,;9.53,-2.57,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22?,24+,25+,27?,28+,29?,30+,33?,34+,35-,36+,37+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50047021 (2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...) Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50061562 ((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...) Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50061567 (1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...) Show SMILES C[N+]1(C)CCN(CC1)c1ccccc1 Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82068 (CHEMBL9732 | Nicotine-D salicylate | Nicotine-L sa...) Show SMILES CN1CCC[C@@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82068 (CHEMBL9732 | Nicotine-D salicylate | Nicotine-L sa...) Show SMILES CN1CCC[C@@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50054820 (Methyllycaconitine | [(1S,4S,5R,6S,8R,9R,13S,16S,1...) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,42.46,36.39,44.48,39.43,wD:28.55,32.34,25.27,31.32,TLB:28:29:32:36.38.39,1:2:47:25.23.24,25:28:42.44:4.2.3,THB:42:48:47:25.23.24,29:28:42.44:4.2.3,2:48:36.35.29:47.44,(3.83,-6.7,;5.61,-4.92,;8.1,-4.92,;7.12,-7.5,;8.22,-6.42,;8.22,-7.94,;7.82,-9.45,;8.61,-10.78,;9.94,-10.01,;8.62,-12.33,;7.29,-13.1,;7.29,-14.64,;8.62,-15.41,;9.95,-14.64,;9.95,-13.1,;11.49,-13.09,;12.9,-13.7,;13.3,-15.19,;13.93,-12.55,;13.14,-11.22,;13.91,-9.88,;11.64,-11.55,;10.86,-10.2,;6.88,-5.65,;6.87,-4.11,;8.21,-3.34,;8.2,-1.8,;6.87,-1.03,;9.54,-4.11,;10.5,-3.18,;10.3,-1.71,;11.64,-1.06,;12.67,-2.15,;14.21,-2.15,;14.96,-3.46,;11.97,-3.45,;12.65,-4.9,;13.98,-5.67,;16.6,-3.1,;16.6,-1.56,;17.69,-.47,;19.02,-1.24,;11.93,-6.28,;12.7,-7.59,;10.46,-6.53,;10.06,-8.01,;11.39,-8.78,;9.55,-5.63,;9.53,-2.57,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22?,24+,25+,27?,28+,29?,30+,33?,34+,35-,36+,37+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50000690 (10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...) Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4 |r| Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50000690 (10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...) Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4 |r| Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50061565 ((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...) Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50121739 (Bungarotoxin Neuronal | Bungarotoxin,Alpha | CHEMB...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50121739 (Bungarotoxin Neuronal | Bungarotoxin,Alpha | CHEMB...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50038416 ((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...) Show SMILES C[N+](C)(C)CCCCCC[N+](C)(C)C Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82544 (Alpha-Cobratoxin | CAS_69344-74-7 | COBRATOXIN) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O Show InChI InChI=1S/C277H443N97O98S8/c1-17-121(7)207(261(461)339-156(62-69-203(411)412)235(435)364-208(122(8)18-2)262(462)349-165(90-190(288)395)244(444)360-179(114-478)255(455)361-180(115-479)256(456)367-213(127(13)383)266(466)370-212(126(12)382)265(465)351-168(94-205(415)416)246(446)333-148(44-31-77-309-276(299)300)228(428)357-177(112-476)254(454)347-164(89-189(287)394)243(443)352-169(271(471)472)92-192(290)397)362-199(404)104-316-220(420)162(87-187(285)392)345-225(425)145(39-23-26-72-280)338-260(460)206(120(5)6)363-250(450)173(108-378)356-257(457)182-46-33-79-373(182)269(469)181(116-480)325-198(403)102-317-222(422)174(109-473)323-196(401)101-315-218(418)141(40-27-73-305-272(291)292)327-230(430)155(61-68-202(409)410)340-263(463)210(124(10)380)365-233(433)149(45-32-78-310-277(301)302)334-237(437)157(82-131-48-52-136(387)53-49-131)322-195(400)100-314-219(419)142(41-28-74-306-273(293)294)328-240(440)160(85-134-96-303-117-319-134)343-247(447)167(93-204(413)414)348-227(427)147(43-30-76-308-275(297)298)332-239(439)159(84-133-95-311-140-36-20-19-35-138(133)140)342-226(426)146(42-29-75-307-274(295)296)330-223(423)143(37-21-24-70-278)329-224(424)144(38-22-25-71-279)331-238(438)158(83-132-50-54-137(388)55-51-132)341-252(452)178(113-477)359-245(445)166(91-191(289)396)350-264(464)211(125(11)381)366-234(434)150(59-66-200(405)406)321-194(399)99-312-193(398)98-313-221(421)170(105-375)353-251(451)175(110-474)324-197(402)103-318-259(459)209(123(9)379)369-268(468)215(129(15)385)371-267(467)214(128(14)384)368-258(458)183-47-34-80-374(183)270(470)216(130(16)386)372-236(436)153(58-65-186(284)391)337-248(448)171(106-376)355-249(449)172(107-377)354-231(431)152(57-64-185(283)390)335-229(429)151(56-63-184(282)389)336-242(442)163(88-188(286)393)346-241(441)161(86-135-97-304-118-320-135)344-253(453)176(111-475)358-232(432)154(60-67-201(407)408)326-217(417)139(281)81-119(3)4/h19-20,35-36,48-55,95-97,117-130,139,141-183,206-216,311,375-388,473-480H,17-18,21-34,37-47,56-94,98-116,278-281H2,1-16H3,(H2,282,389)(H2,283,390)(H2,284,391)(H2,285,392)(H2,286,393)(H2,287,394)(H2,288,395)(H2,289,396)(H2,290,397)(H,303,319)(H,304,320)(H,312,398)(H,313,421)(H,314,419)(H,315,418)(H,316,420)(H,317,422)(H,318,459)(H,321,399)(H,322,400)(H,323,401)(H,324,402)(H,325,403)(H,326,417)(H,327,430)(H,328,440)(H,329,424)(H,330,423)(H,331,438)(H,332,439)(H,333,446)(H,334,437)(H,335,429)(H,336,442)(H,337,448)(H,338,460)(H,339,461)(H,340,463)(H,341,452)(H,342,426)(H,343,447)(H,344,453)(H,345,425)(H,346,441)(H,347,454)(H,348,427)(H,349,462)(H,350,464)(H,351,465)(H,352,443)(H,353,451)(H,354,431)(H,355,449)(H,356,457)(H,357,428)(H,358,432)(H,359,445)(H,360,444)(H,361,455)(H,362,404)(H,363,450)(H,364,435)(H,365,433)(H,366,434)(H,367,456)(H,368,458)(H,369,468)(H,370,466)(H,371,467)(H,372,436)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,471,472)(H4,291,292,305)(H4,293,294,306)(H4,295,296,307)(H4,297,298,308)(H4,299,300,309)(H4,301,302,310)/t121-,122-,123+,124+,125+,126+,127+,128+,129+,130+,139-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM82545 (CAS_441310 | NSC_441310 | Trimethaphan) Show SMILES O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1 Show InChI InChI=1S/C22H25N2OS/c25-22-23(14-17-8-3-1-4-9-17)19-16-26-13-7-12-20(26)21(19)24(22)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2/q+1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor (RAT)	BDBM50121739 (Bungarotoxin Neuronal | Bungarotoxin,Alpha | CHEMB...) Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11| Show InChI InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 159-66 (1994) BindingDB Entry DOI: 10.7270/Q22Z141C
					More data for this Ligand-Target Pair