Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'kilts' and Initial = 'cd'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50139957 (2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT				J Med Chem 49: 942-6 (2006) Article DOI: 10.1021/jm050799v BindingDB Entry DOI: 10.7270/Q2RV0N8H
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124564 (CHEMBL174088 | methyl 3-{4-[2-iodo-(Z)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C/I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-/t13?,14-,15?,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50189573 (3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...) Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT transfected in HEK293 cells				Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124565 (CHEMBL353333 | methyl 3-(4-iodophenyl)-(2S,3S)-8-a...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11?,12-,13?,14+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50189572 (3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....) Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT transfected in HEK293 cells				Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50160248 ((2S,3S)-2-[alpha-(2-Methylphenylthio)phenylmethyl]...) Show SMILES Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NOS/c1-14-7-5-6-10-17(14)21-18(15-8-3-2-4-9-15)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50085072 (1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]...) Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1 Show InChI InChI=1S/C28H32F2N2O/c29-26-13-11-24(12-14-26)28(25-9-4-10-27(30)22-25)33-21-20-32-18-16-31(17-19-32)15-5-8-23-6-2-1-3-7-23/h1-4,6-7,9-14,22,28H,5,8,15-21H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Competitive binding versus [N-methyl-3H]-WIN 35,428 in murine kidney cells transfected with human dopamine transporter				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50085071 (3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...) Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7| Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro affinity determined using [3H]-WIN- 35428 in murine kidney cells transfected with human dopamine transporter (DAT)				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM35229 (3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...) Show SMILES CNCCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50085071 (3-(4-Iodo-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]non...) Show SMILES COC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(I)cc1 |TLB:11:10:4.13.12:6.7,THB:2:4:10.9:6.7,14:13:10.9:6.7| Show InChI InChI=1S/C17H22INO2/c1-19-10-11-3-8-15(19)16(17(20)21-2)14(9-11)12-4-6-13(18)7-5-12/h4-7,11,14-16H,3,8-10H2,1-2H3/t11?,14-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro affinity determined using [3H]-citalopram in murine kidney cells transfected with human serotonin transporter (SERT)				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50160246 ((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...) Show SMILES COc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50158983 (CHEMBL439883 | E G P P I S I D L S L E L L R K M I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C202H345N55O64S/c1-29-103(20)156(250-178(298)125(62-71-153(276)277)236-195(315)157(104(21)30-2)251-179(299)126(72-81-322-28)234-169(289)114(49-37-41-76-206)222-170(290)115(50-42-77-216-201(212)213)226-180(300)127(82-96(6)7)240-183(303)130(85-99(12)13)239-177(297)123(60-69-151(272)273)233-181(301)128(83-97(8)9)244-191(311)138(94-258)248-186(306)133(88-102(18)19)243-189(309)136(91-154(278)279)247-196(316)158(105(22)31-3)252-192(312)139(95-259)249-197(317)159(106(23)32-4)253-193(313)140-52-44-80-257(140)199(319)141-53-45-79-256(141)148(267)93-218-164(284)117-57-66-147(266)221-117)194(314)235-124(61-70-152(274)275)176(296)225-112(47-35-39-74-204)167(287)230-120(56-65-144(209)263)173(293)232-122(59-68-150(270)271)175(295)224-113(48-36-40-75-205)168(288)231-121(58-67-149(268)269)174(294)223-111(46-34-38-73-203)166(286)229-119(55-64-143(208)262)172(292)228-118(54-63-142(207)261)165(285)220-108(25)162(282)219-109(26)163(283)237-134(89-145(210)264)188(308)245-135(90-146(211)265)187(307)227-116(51-43-78-217-202(214)215)171(291)238-129(84-98(10)11)182(302)241-131(86-100(14)15)184(304)242-132(87-101(16)17)185(305)246-137(92-155(280)281)190(310)255-161(110(27)260)198(318)254-160(200(320)321)107(24)33-5/h96-141,156-161,258-260H,29-95,203-206H2,1-28H3,(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H,218,284)(H,219,282)(H,220,285)(H,221,266)(H,222,290)(H,223,294)(H,224,295)(H,225,296)(H,226,300)(H,227,307)(H,228,292)(H,229,286)(H,230,287)(H,231,288)(H,232,293)(H,233,301)(H,234,289)(H,235,314)(H,236,315)(H,237,283)(H,238,291)(H,239,297)(H,240,303)(H,241,302)(H,242,304)(H,243,309)(H,244,311)(H,245,308)(H,246,305)(H,247,316)(H,248,306)(H,249,317)(H,250,298)(H,251,299)(H,252,312)(H,253,313)(H,254,318)(H,255,310)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,212,213,216)(H4,214,215,217)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50158983 (CHEMBL439883 | E G P P I S I D L S L E L L R K M I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C202H345N55O64S/c1-29-103(20)156(250-178(298)125(62-71-153(276)277)236-195(315)157(104(21)30-2)251-179(299)126(72-81-322-28)234-169(289)114(49-37-41-76-206)222-170(290)115(50-42-77-216-201(212)213)226-180(300)127(82-96(6)7)240-183(303)130(85-99(12)13)239-177(297)123(60-69-151(272)273)233-181(301)128(83-97(8)9)244-191(311)138(94-258)248-186(306)133(88-102(18)19)243-189(309)136(91-154(278)279)247-196(316)158(105(22)31-3)252-192(312)139(95-259)249-197(317)159(106(23)32-4)253-193(313)140-52-44-80-257(140)199(319)141-53-45-79-256(141)148(267)93-218-164(284)117-57-66-147(266)221-117)194(314)235-124(61-70-152(274)275)176(296)225-112(47-35-39-74-204)167(287)230-120(56-65-144(209)263)173(293)232-122(59-68-150(270)271)175(295)224-113(48-36-40-75-205)168(288)231-121(58-67-149(268)269)174(294)223-111(46-34-38-73-203)166(286)229-119(55-64-143(208)262)172(292)228-118(54-63-142(207)261)165(285)220-108(25)162(282)219-109(26)163(283)237-134(89-145(210)264)188(308)245-135(90-146(211)265)187(307)227-116(51-43-78-217-202(214)215)171(291)238-129(84-98(10)11)182(302)241-131(86-100(14)15)184(304)242-132(87-101(16)17)185(305)246-137(92-155(280)281)190(310)255-161(110(27)260)198(318)254-160(200(320)321)107(24)33-5/h96-141,156-161,258-260H,29-95,203-206H2,1-28H3,(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H,218,284)(H,219,282)(H,220,285)(H,221,266)(H,222,290)(H,223,294)(H,224,295)(H,225,296)(H,226,300)(H,227,307)(H,228,292)(H,229,286)(H,230,287)(H,231,288)(H,232,293)(H,233,301)(H,234,289)(H,235,314)(H,236,315)(H,237,283)(H,238,291)(H,239,297)(H,240,303)(H,241,302)(H,242,304)(H,243,309)(H,244,311)(H,245,308)(H,246,305)(H,247,316)(H,248,306)(H,249,317)(H,250,298)(H,251,299)(H,252,312)(H,253,313)(H,254,318)(H,255,310)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,212,213,216)(H4,214,215,217)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from CRF1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50189574 (3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...) Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT transfected in HEK293 cells				Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50085069 (3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...) Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter.				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50199005 ((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...) Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50199005 ((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...) Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373031 (CHEMBL411263) Show SMILES FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254209 ((2S,3S)-2-[alpha-(2-Methylphenoxy)phenylmethyl]mor...) Show SMILES Cc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50370475 (S,S-REBOXETINE) Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50124567 (CHEMBL173427 | methyl 3-{4-[2-iodo-(E)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8+/t13?,14-,15?,16+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373028 (CHEMBL411262) Show SMILES FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128760 (CHEMBL3628728) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1Br Show InChI InChI=1S/C20H24Br2N4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373029 (CHEMBL272002) Show SMILES COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO4/c1-22-19(21)15-9-5-6-10-16(15)24-18(14-7-3-2-4-8-14)17-13-20-11-12-23-17/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373030 (CHEMBL270099) Show SMILES COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO3S/c1-22-19(21)15-9-5-6-10-17(15)24-18(14-7-3-2-4-8-14)16-13-20-11-12-23-16/h2-10,16,18,20H,11-13H2,1H3/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50006774 ((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM22417 (3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...) Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1 Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50028091 ((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...) Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM85616 (MOLI000038 | [18F]FECNT) Show SMILES [H]C12CCC([H])(C(C(C1)c1ccc(Cl)cc1)C(=O)OC)N2CCF |TLB:16:6:20:3.2| Show InChI InChI=1S/C17H21ClFNO2/c1-22-17(21)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)20(13)9-8-19/h2-5,13-16H,6-10H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Nucl Med Biol 27: 1-12 (2000) Article DOI: 10.1016/s0969-8051(99)00080-3 BindingDB Entry DOI: 10.7270/Q2N29VG7
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50210954 ((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50210953 ((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50124567 (CHEMBL173427 | methyl 3-{4-[2-iodo-(E)-1-ethenyl]p...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(\C=C\I)cc1)N2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8+/t13?,14-,15?,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)				J Med Chem 46: 925-35 (2003) Article DOI: 10.1021/jm0100180 BindingDB Entry DOI: 10.7270/Q2W66K4V
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50210955 ((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50373032 (CHEMBL272003) Show SMILES CSc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C18H21NO2S/c1-22-17-10-6-5-9-15(17)21-18(14-7-3-2-4-8-14)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem 16: 783-93 (2008) Article DOI: 10.1016/j.bmc.2007.10.025 BindingDB Entry DOI: 10.7270/Q2F76DF4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50210955 ((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50210953 ((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...) Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3044-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.056 BindingDB Entry DOI: 10.7270/Q27D2TTC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128783 (CHEMBL3628740) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)N(C)c12)c1ccc(Br)cc1Br Show InChI InChI=1S/C21H26Br2N4O/c1-5-7-10-26(6-2)18-11-14(3)24-21-20(18)25(4)19(28)13-27(21)17-9-8-15(22)12-16(17)23/h8-9,11-12H,5-7,10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50155967 (4-(2-Bromo-4-isopropyl-phenyl)-8-(butyl-ethyl-amin...) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C23H31BrN4O/c1-6-8-11-27(7-2)20-12-16(5)25-23-22(20)26-21(29)14-28(23)19-10-9-17(15(3)4)13-18(19)24/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128774 (CHEMBL3628730) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Cl)cc1Br Show InChI InChI=1S/C20H24BrClN4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(22)11-15(16)21/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128764 (CHEMBL3628729) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1CC Show InChI InChI=1S/C22H29BrN4O/c1-5-8-11-26(7-3)19-12-15(4)24-22-21(19)25-20(28)14-27(22)18-10-9-17(23)13-16(18)6-2/h9-10,12-13H,5-8,11,14H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128775 (CHEMBL3628731) Show SMILES CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(Br)cc1Cl Show InChI InChI=1S/C20H24BrClN4O/c1-4-6-9-25(5-2)17-10-13(3)23-20-19(17)24-18(27)12-26(20)16-8-7-14(21)11-15(16)22/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50189572 (3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....) Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells				Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50189571 (CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...) Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells				Bioorg Med Chem Lett 16: 4661-3 (2006) Article DOI: 10.1016/j.bmcl.2006.05.098 BindingDB Entry DOI: 10.7270/Q22R3R93
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from CRF1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50028091 ((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...) Show SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human dopamine transporter				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50128786 (CHEMBL3628743) Show SMILES CCCN(CCC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1Br)C(C)C Show InChI InChI=1S/C23H31BrN4O/c1-6-10-27(11-7-2)20-12-16(5)25-23-22(20)26-21(29)14-28(23)19-9-8-17(15(3)4)13-18(19)24/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 25: 5111-4 (2015) Article DOI: 10.1016/j.bmcl.2015.10.010 BindingDB Entry DOI: 10.7270/Q2XW4MM0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50254210 ((2S,3S)-2-[alpha-(2-(2-Fluoroethyl)phenoxy)phenylm...) Show SMILES FCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H22FNO2/c20-11-10-15-6-4-5-9-17(15)23-19(16-7-2-1-3-8-16)18-14-21-12-13-22-18/h1-9,18-19,21H,10-14H2/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells				J Med Chem 52: 62-73 (2009) Article DOI: 10.1021/jm800817h BindingDB Entry DOI: 10.7270/Q2CN74TN
					More data for this Ligand-Target Pair

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