Compile Data Set for Download or QSAR

Found 2509 hits with Last Name = 'gupta' and Initial = 'b'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50435127 (CHEMBL2392022) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:130.133,116.125,100.108,84.95,60.71,49.51,30.39,8.17,2.2,138.142,139.145,156.160,176.180,wD:125.129,108.116,95.99,72.84,54.58,41.47,20.28,4.4,145.149,167.171,187.191,(61.16,-21.04,;61.16,-19.5,;62.5,-18.73,;63.84,-19.5,;62.5,-17.19,;61.16,-16.42,;59.83,-17.19,;59.83,-18.73,;58.5,-16.42,;58.5,-14.88,;59.83,-14.11,;61.16,-14.88,;62.5,-14.11,;62.5,-12.57,;63.83,-11.8,;61.16,-11.8,;59.83,-12.57,;57.16,-17.19,;55.83,-16.42,;55.83,-14.88,;54.5,-17.19,;54.5,-18.73,;55.83,-19.5,;57.24,-18.87,;58.27,-20.01,;57.5,-21.34,;55.99,-21.02,;53.17,-16.42,;51.83,-17.19,;51.83,-18.73,;50.5,-16.42,;50.5,-14.88,;51.83,-14.11,;51.83,-12.57,;53.17,-11.8,;53.17,-10.26,;51.83,-9.49,;54.5,-9.49,;49.16,-17.19,;47.83,-16.42,;47.83,-14.88,;46.5,-17.19,;46.49,-18.73,;47.62,-19.78,;47.26,-21.28,;49.09,-19.34,;45.17,-16.42,;43.83,-17.19,;43.83,-18.73,;42.49,-16.42,;42.49,-14.88,;41.16,-17.19,;39.83,-16.42,;39.83,-14.88,;38.49,-17.19,;38.49,-18.73,;39.83,-19.5,;37.16,-16.42,;35.83,-17.19,;35.83,-18.73,;34.49,-16.42,;34.49,-14.88,;35.83,-14.11,;37.16,-14.88,;38.49,-14.11,;38.49,-12.57,;39.83,-11.8,;37.16,-11.8,;35.83,-12.57,;33.16,-17.19,;31.83,-16.42,;31.83,-14.88,;30.49,-17.19,;30.49,-18.73,;31.83,-19.5,;33.15,-18.73,;34.49,-19.5,;34.49,-21.03,;35.83,-21.8,;33.15,-21.8,;31.83,-21.03,;29.15,-16.42,;27.83,-17.19,;27.83,-18.73,;26.49,-16.42,;26.49,-14.88,;27.83,-14.11,;27.83,-12.57,;29.15,-11.8,;29.15,-10.26,;27.83,-9.49,;30.49,-9.49,;25.16,-17.19,;23.83,-16.42,;23.83,-14.88,;22.49,-17.19,;22.49,-18.73,;21.15,-16.42,;19.82,-17.19,;19.82,-18.73,;18.49,-16.42,;18.49,-14.88,;19.73,-13.96,;19.56,-12.43,;21.14,-14.58,;17.16,-17.19,;15.82,-16.42,;15.82,-14.88,;14.49,-17.19,;14.49,-18.73,;15.82,-19.5,;17.16,-18.73,;15.82,-21.04,;13.15,-16.42,;11.82,-17.19,;11.82,-18.73,;10.49,-16.42,;10.49,-14.88,;11.82,-14.11,;11.82,-12.57,;10.49,-11.8,;13.15,-11.8,;9.16,-17.19,;7.82,-16.42,;7.82,-14.88,;6.48,-17.19,;6.48,-18.73,;5.15,-16.42,;3.81,-17.19,;3.81,-18.73,;2.44,-16.49,;2.43,-14.94,;.78,-14.69,;.03,-16.2,;1.22,-17.37,;63.84,-16.42,;63.84,-14.88,;65.17,-17.19,;66.5,-16.42,;66.5,-14.88,;65.17,-14.11,;67.84,-14.11,;67.84,-17.19,;67.84,-18.73,;69.17,-16.42,;70.5,-17.19,;70.5,-18.73,;71.84,-19.5,;71.84,-21.04,;73.17,-21.81,;73.17,-23.35,;71.84,-24.12,;74.5,-24.12,;71.84,-16.42,;71.84,-14.88,;73.17,-17.19,;74.5,-16.42,;74.5,-14.88,;75.84,-14.11,;75.84,-12.57,;77.17,-11.8,;77.17,-10.26,;75.84,-9.49,;78.5,-9.49,;75.84,-17.19,;75.84,-18.73,;77.17,-16.42,;78.5,-17.19,;78.5,-18.73,;79.84,-19.5,;79.84,-21.04,;78.5,-21.81,;81.17,-21.81,;79.84,-16.42,;79.84,-14.88,;81.17,-17.19,;82.5,-16.42,;82.5,-14.88,;83.84,-14.11,;83.84,-12.57,;85.18,-11.8,;85.18,-10.26,;83.84,-9.49,;86.51,-9.49,;83.84,-17.19,;83.84,-18.73,;85.18,-16.42,;86.51,-17.19,;86.51,-18.73,;87.84,-19.5,;89.17,-18.73,;90.5,-19.5,;90.5,-21.03,;91.84,-21.8,;89.17,-21.8,;87.84,-21.03,;87.84,-16.42,;89.17,-17.19,;87.84,-14.88,)| Show InChI InChI=1S/C125H193N41O33/c1-11-63(6)97(119(198)166-98(67(10)168)120(199)155-82(23-17-49-144-125(136)137)105(184)151-79(20-14-46-141-122(130)131)104(183)154-83(40-42-94(126)173)109(188)152-80(21-15-47-142-123(132)133)106(185)156-85(99(127)178)52-68-24-32-73(169)33-25-68)165-117(196)90(55-71-30-38-76(172)39-31-71)161-115(194)91(56-72-58-138-60-145-72)162-108(187)81(22-16-48-143-124(134)135)153-112(191)87(51-62(4)5)157-102(181)66(9)148-118(197)93(59-167)164-114(193)89(54-70-28-36-75(171)37-29-70)160-113(192)88(53-69-26-34-74(170)35-27-69)159-107(186)78(19-13-45-140-121(128)129)149-100(179)65(8)147-111(190)86(50-61(2)3)158-116(195)92(57-96(176)177)163-110(189)84(41-43-95(174)175)150-101(180)64(7)146-103(182)77-18-12-44-139-77/h24-39,58,60-67,77-93,97-98,139,167-172H,11-23,40-57,59H2,1-10H3,(H2,126,173)(H2,127,178)(H,138,145)(H,146,182)(H,147,190)(H,148,197)(H,149,179)(H,150,180)(H,151,184)(H,152,188)(H,153,191)(H,154,183)(H,155,199)(H,156,185)(H,157,181)(H,158,195)(H,159,186)(H,160,192)(H,161,194)(H,162,187)(H,163,189)(H,164,193)(H,165,196)(H,166,198)(H,174,175)(H,176,177)(H4,128,129,140)(H4,130,131,141)(H4,132,133,142)(H4,134,135,143)(H4,136,137,144)/t63-,64-,65-,66-,67+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,97-,98-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [125I]Peptide YY from neuropeptide Y receptor type 2 in human KAN-TS cells after 2 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM85035 (CAS_65154-06-5 | PAF | bloodplatelet-activatingfac...) Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O |r| Show InChI InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]PAF from platelet activating factor receptor in human platelets after 3 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50015490 (CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,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-,148-,149-,150-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [125I]Peptide YY from neuropeptide Y receptor type 1 in human SK-N-MC cells after 60 mins				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156454 (CHEMBL264100 | des-Arg10-Kallidin) Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H](Des-Arg10)-Kallidin from bradykinin B1 receptor in human IMR90 cells after 60 mins				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165019 (4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...) Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Affinity for rat Muscarinic acetylcholine receptor M3				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50049949 ((BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH | (b...) Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Bradykinin from human recombinant bradykinin B2 receptor expressed in CHEM1 cells after 60 mins				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22567 (3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...) Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells after 3 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218053 ((R)-2-cycloheptyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)...) Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C28H36N2O2/c1-20(21-12-6-4-7-13-21)30-18-24-25(19-30)26(24)29-27(31)28(32,23-16-10-5-11-17-23)22-14-8-2-3-9-15-22/h4-7,10-13,16-17,20,22,24-26,32H,2-3,8-9,14-15,18-19H2,1H3,(H,29,31)/t20?,24-,25+,26+,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Dexamethasone from glucocorticoid receptor in human HeLaS3 cells after 2 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM82561 (CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEK293 cells after 60 mins				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50435126 (CHEMBL2392023) Show SMILES Ic1ccccc1N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |r,wU:15.18,8.8,TLB:16:15:11.10:13.14,THB:7:8:11.10:13.14,(27.46,-20.24,;26.34,-19.18,;26.7,-17.68,;25.59,-16.62,;24.1,-17.05,;23.75,-18.55,;24.86,-19.62,;24.5,-21.16,;23.07,-21.75,;21.58,-21.35,;20.1,-21.75,;19.33,-23.08,;20.81,-22.69,;20.81,-21.14,;21.58,-19.81,;22.3,-23.08,;22.89,-24.51,;24.42,-24.71,;25.01,-26.13,;26.53,-26.33,;27.47,-25.11,;26.87,-23.69,;25.35,-23.49,;21.95,-25.73,;20.43,-25.52,;19.49,-26.74,;20.08,-28.17,;21.61,-28.37,;22.54,-27.15,)| Show InChI InChI=1S/C26H27IN2/c27-22-13-7-8-14-23(22)28-25-21-15-17-29(18-16-21)26(25)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,24-26,28H,15-18H2/t25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Substance P from human recombinant substance P receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Homo sapiens (Human))	BDBM50435128 (CHEMBL2391908) Show SMILES C[C@H](NCC(=O)CP(O)(O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,21,23-25H,2-6,10-12H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]CGP54626 from human recombinant GABAB1A receptor expressed in CHO cells after 3 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319849 (CHEMBL1083921 | N-((2-chloro-1-(2-chloro-4,6-dimet...) Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1Cl)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;10.83,-25.23,;9.29,-25.22,;11.59,-26.57,;13.13,-26.57,;13.9,-27.91,;13.91,-25.23,;13.14,-23.9,;13.91,-22.57,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)| Show InChI InChI=1S/C22H25Cl2F3N4/c1-4-7-29(10-15-5-6-15)11-17-20(22(25,26)27)28-21-30(17)12-18(24)31(21)19-14(3)8-13(2)9-16(19)23/h8-9,12,15H,4-7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Mibolerone from rat recombinant androgen receptor expressed in Escherichia coli after 4 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319896 (CHEMBL1084999 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(CC=C)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(37.74,-27.89,;36.2,-27.87,;35.41,-29.19,;33.87,-29.17,;33.12,-27.83,;31.58,-27.8,;30.83,-26.46,;33.08,-30.49,;33.53,-31.97,;32.59,-33.2,;33.47,-34.47,;34.95,-34.02,;36.42,-34.53,;37.35,-33.3,;38.89,-33.33,;36.47,-32.03,;34.98,-32.48,;37.18,-35.87,;38.71,-35.86,;39.48,-34.53,;39.48,-37.19,;38.71,-38.53,;39.47,-39.87,;37.16,-38.53,;36.4,-37.19,;34.86,-37.18,;31.05,-33.17,;30.3,-31.82,;30.25,-34.49,;29.5,-33.16,)| Show InChI InChI=1S/C22H26ClF3N4/c1-6-8-28(9-7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h6,10-11,13H,1,7-9,12H2,2-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319906 (CHEMBL1083933 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.95,-9.34,;13.19,-8.01,;13.96,-6.67,;13.19,-5.34,;13.96,-4,;11.66,-5.34,;10.88,-6.67,;9.34,-6.66,;11.65,-8,;10.9,-4,;11.83,-2.77,;13.37,-2.8,;10.95,-1.51,;9.47,-1.95,;8.01,-1.44,;7.56,.03,;8.35,1.36,;7.6,2.7,;8.39,4.02,;9.74,4.77,;8.41,5.56,;9.89,1.34,;10.68,2.66,;12.22,2.64,;9.93,4,;11.44,4,;7.07,-2.67,;7.95,-3.94,;9.43,-3.5,;5.53,-2.64,;4.79,-1.29,;4.73,-3.96,;3.98,-2.63,)| Show InChI InChI=1S/C22H23ClF6N4/c1-12-6-13(2)18(14(3)7-12)33-17(23)10-32-16(19(22(27,28)29)30-20(32)33)9-31(8-15-4-5-15)11-21(24,25)26/h6-7,10,15H,4-5,8-9,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319893 (CHEMBL1083952 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(25.09,-41.84,;23.55,-41.82,;22.77,-43.15,;21.23,-43.12,;20.47,-41.78,;18.93,-41.76,;17.87,-40.66,;16.76,-41.73,;17.84,-42.83,;20.44,-44.45,;20.88,-45.92,;19.94,-47.16,;20.82,-48.43,;22.3,-47.98,;23.77,-48.48,;24.7,-47.25,;26.24,-47.28,;23.82,-45.99,;22.34,-46.43,;24.53,-49.82,;26.06,-49.82,;26.83,-48.48,;26.83,-51.15,;26.06,-52.49,;26.83,-53.82,;24.52,-52.48,;23.75,-51.15,;22.21,-51.14,;18.4,-47.12,;17.66,-45.77,;17.6,-48.44,;16.85,-47.11,)| Show InChI InChI=1S/C24H30ClF3N4/c1-5-9-30(12-18-7-6-8-18)13-19-22(24(26,27)28)29-23-31(19)14-20(25)32(23)21-16(3)10-15(2)11-17(21)4/h10-11,14,18H,5-9,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218045 ((R)-2-cyclohexyl-2-hydroxy-2-phenyl-N-((1S,5R,6s)-...) Show SMILES CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0| Show InChI InChI=1S/C27H34N2O2/c1-19(20-11-5-2-6-12-20)29-17-23-24(18-29)25(23)28-26(30)27(31,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-3,5-8,11-14,19,22-25,31H,4,9-10,15-18H2,1H3,(H,28,30)/t19?,23-,24+,25+,27?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319869 (CHEMBL1086504 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(32.64,-10.29,;31.85,-11.62,;32.6,-12.96,;34.14,-12.99,;34.89,-14.34,;36.43,-14.37,;37.16,-15.72,;38.7,-15.75,;39.5,-14.43,;38.75,-13.08,;37.21,-13.06,;31.82,-14.28,;32.26,-15.76,;31.32,-16.99,;32.2,-18.26,;33.68,-17.82,;35.15,-18.32,;36.08,-17.09,;37.62,-17.12,;35.2,-15.82,;33.72,-16.27,;35.91,-19.66,;37.44,-19.66,;38.21,-18.32,;38.21,-20.99,;37.44,-22.33,;38.21,-23.66,;35.9,-22.32,;35.13,-20.98,;33.59,-20.98,;29.78,-16.96,;29.04,-15.61,;28.98,-18.28,;28.23,-16.95,)| Show InChI InChI=1S/C26H28ClF3N4/c1-5-32(12-11-20-9-7-6-8-10-20)15-21-24(26(28,29)30)31-25-33(21)16-22(27)34(25)23-18(3)13-17(2)14-19(23)4/h6-10,13-14,16H,5,11-12,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165017 (CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...) Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1 Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Ki value for rat Muscarinic acetylcholine receptor M3				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165017 (CHEMBL192485 | Cyclopentyl-hydroxy-phenyl-acetic a...) Show SMILES OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1 Show InChI InChI=1S/C22H27NO3/c24-21(26-13-7-6-12-23-15-17-14-18(17)16-23)22(25,20-10-4-5-11-20)19-8-2-1-3-9-19/h1-3,8-9,17-18,20,25H,4-5,10-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Ki value for rat Muscarinic acetylcholine receptor M3				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319890 (CHEMBL1082696 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC3CC3)CC(F)(F)F)c(nc12)C(F)(F)F |(13.64,-7.82,;12.88,-6.48,;13.65,-5.14,;12.88,-3.81,;13.65,-2.48,;11.35,-3.81,;10.57,-5.14,;9.03,-5.13,;11.33,-6.48,;10.59,-2.48,;11.52,-1.24,;13.06,-1.27,;10.64,.02,;9.15,-.43,;7.7,.08,;7.25,1.56,;8.04,2.88,;7.29,4.23,;5.75,4.25,;5,5.59,;5.03,7.12,;3.69,6.37,;9.58,2.86,;10.37,4.18,;11.91,4.16,;9.62,5.53,;11.13,5.52,;6.76,-1.15,;7.64,-2.42,;9.12,-1.97,;5.22,-1.12,;4.47,.23,;4.42,-2.43,;3.67,-1.1,)| Show InChI InChI=1S/C23H25ClF6N4/c1-13-8-14(2)19(15(3)9-13)34-18(24)11-33-17(20(23(28,29)30)31-21(33)34)10-32(12-22(25,26)27)7-6-16-4-5-16/h8-9,11,16H,4-7,10,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218061 ((R)-N-((1S,5R,6s)-3-benzyl-3-aza-bicyclo[3.1.0]hex...) Show SMILES OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Affinity for rat Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50165019 (4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...) Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	6.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Affinity for rat Muscarinic acetylcholine receptor M2				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Affinity for rat Muscarinic acetylcholine receptor M3				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50314008 (CHEMBL1087165 | N-(cyclopropylmethyl)-2,2,2-triflu...) Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)F)c(nc23)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H28F6N4/c1-14-9-15(2)19(16(3)10-14)33-8-4-7-32-18(20(23(27,28)29)30-21(32)33)12-31(11-17-5-6-17)13-22(24,25)26/h9-10,17H,4-8,11-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells				Bioorg Med Chem Lett 20: 1905-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.127 BindingDB Entry DOI: 10.7270/Q24Q7V3F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319903 (CHEMBL1082302 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F)CC(F)(F)F |(-3.08,-13.39,;-4.62,-13.36,;-5.37,-12.02,;-6.91,-12,;-7.7,-13.32,;-7.26,-14.8,;-8.2,-16.03,;-7.32,-17.3,;-5.84,-16.85,;-4.37,-17.36,;-3.44,-16.12,;-1.9,-16.15,;-4.32,-14.86,;-5.8,-15.3,;-3.61,-18.69,;-2.08,-18.69,;-1.31,-17.36,;-1.31,-20.02,;-2.08,-21.36,;-1.31,-22.7,;-3.62,-21.36,;-4.39,-20.02,;-5.93,-20.01,;-9.74,-16,;-10.48,-14.65,;-10.54,-17.31,;-11.29,-15.98,;-7.67,-10.65,;-6.88,-9.33,;-5.34,-9.35,;-7.63,-7.99,;-6.12,-7.99,)| Show InChI InChI=1S/C21H23ClF6N4/c1-5-6-30(11-20(23,24)25)9-15-18(21(26,27)28)29-19-31(15)10-16(22)32(19)17-13(3)7-12(2)8-14(17)4/h7-8,10H,5-6,9,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [3H]Haloperidol from sigma 1 receptor in human jurkat cells after 4 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319905 (CHEMBL1083319 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(23.51,2.87,;22.73,1.55,;21.19,1.57,;20.44,2.91,;21.22,4.23,;22.57,4.98,;21.25,5.77,;20.4,.24,;20.84,-1.23,;19.9,-2.46,;20.78,-3.73,;22.27,-3.29,;23.73,-3.79,;24.66,-2.56,;26.2,-2.59,;23.78,-1.3,;22.3,-1.74,;24.5,-5.13,;26.03,-5.13,;26.79,-3.79,;26.79,-6.46,;26.02,-7.8,;26.79,-9.13,;24.48,-7.79,;23.71,-6.46,;22.17,-6.45,;18.36,-2.43,;17.62,-1.08,;17.56,-3.75,;16.82,-2.42,)| Show InChI InChI=1S/C22H26ClF3N4/c1-5-28(10-16-6-7-16)11-17-20(22(24,25)26)27-21-29(17)12-18(23)30(21)19-14(3)8-13(2)9-15(19)4/h8-9,12,16H,5-7,10-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319907 (CHEMBL1086468 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-1.4,.94,;-2.94,.96,;-3.69,2.31,;-5.23,2.33,;-5.98,3.67,;-5.19,5,;-3.84,5.75,;-5.17,6.53,;-6.02,1.01,;-5.57,-.47,;-6.51,-1.7,;-5.63,-2.97,;-4.15,-2.52,;-2.68,-3.03,;-1.75,-1.8,;-.21,-1.83,;-2.63,-.53,;-4.11,-.98,;-1.92,-4.37,;-.39,-4.36,;.38,-3.03,;.38,-5.69,;-.39,-7.03,;.37,-8.37,;-1.93,-7.03,;-2.7,-5.69,;-4.24,-5.68,;-8.05,-1.67,;-8.79,-.32,;-8.85,-2.99,;-9.6,-1.66,)| Show InChI InChI=1S/C23H28ClF3N4/c1-5-8-29(11-17-6-7-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)9-14(2)10-16(20)4/h9-10,13,17H,5-8,11-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218043 ((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-phenet...) Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C26H32N2O2/c29-25(26(30,21-13-7-8-14-21)20-11-5-2-6-12-20)27-24-22-17-28(18-23(22)24)16-15-19-9-3-1-4-10-19/h1-6,9-12,21-24,30H,7-8,13-18H2,(H,27,29)/t22-,23+,24+,26?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319902 (CHEMBL1083935 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(CCC(F)(F)F)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(7.09,-10.64,;5.55,-10.62,;4.76,-11.94,;5.51,-13.29,;7.05,-13.31,;7.81,-14.65,;9.35,-14.68,;10.13,-13.35,;10.1,-16.02,;10.88,-14.67,;4.73,-14.61,;5.17,-16.09,;4.23,-17.32,;5.11,-18.59,;6.59,-18.14,;8.06,-18.65,;8.99,-17.41,;10.53,-17.44,;8.11,-16.15,;6.63,-16.6,;8.82,-19.98,;10.35,-19.98,;11.12,-18.65,;11.12,-21.31,;10.35,-22.65,;11.12,-23.99,;8.81,-22.65,;8.04,-21.31,;6.5,-21.3,;2.69,-17.29,;1.95,-15.94,;1.89,-18.6,;1.14,-17.27,)| Show InChI InChI=1S/C22H25ClF6N4/c1-5-7-31(8-6-21(24,25)26)11-16-19(22(27,28)29)30-20-32(16)12-17(23)33(20)18-14(3)9-13(2)10-15(18)4/h9-10,12H,5-8,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319882 (CHEMBL1082338 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)Cc3ccc(Cl)cc3)c(nc12)C(F)(F)F |(14.51,-39.05,;13.75,-37.72,;14.52,-36.38,;13.75,-35.05,;14.52,-33.71,;12.22,-35.05,;11.44,-36.38,;9.9,-36.37,;12.21,-37.71,;11.46,-33.71,;12.39,-32.48,;13.93,-32.51,;11.51,-31.22,;10.03,-31.66,;8.57,-31.15,;8.12,-29.68,;8.91,-28.35,;8.16,-27.01,;6.62,-26.99,;5.87,-25.64,;4.33,-25.62,;6.66,-24.32,;5.09,-24.31,;10.45,-28.38,;11.24,-27.05,;12.78,-27.11,;13.59,-25.8,;12.87,-24.44,;13.68,-23.14,;11.32,-24.39,;10.51,-25.7,;7.63,-32.39,;8.51,-33.66,;9.99,-33.21,;6.09,-32.35,;5.35,-31,;5.29,-33.67,;4.54,-32.34,)| Show InChI InChI=1S/C26H24Cl2F6N4/c1-15-10-16(2)22(17(3)11-15)38-21(28)14-37-20(23(26(32,33)34)35-24(37)38)13-36(9-8-25(29,30)31)12-18-4-6-19(27)7-5-18/h4-7,10-11,14H,8-9,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218057 ((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...) Show SMILES O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218051 ((R)-2-cyclopentyl-2-hydroxy-N-((1S,5R,6s)-3-(4-met...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 Show InChI InChI=1S/C24H34N2O2/c1-17(2)9-8-14-26-15-20-21(16-26)22(20)25-23(27)24(28,19-12-6-7-13-19)18-10-4-3-5-11-18/h3-5,9-11,19-22,28H,6-8,12-16H2,1-2H3,(H,25,27)/t20-,21+,22+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319895 (CHEMBL1085265 | N-allyl-N-((2-chloro-1-mesityl-6-(...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC=C)CC=C)c(nc12)C(F)(F)F |(.11,-53.08,;-.66,-51.75,;.12,-50.41,;-.65,-49.08,;.12,-47.74,;-2.18,-49.08,;-2.96,-50.41,;-4.5,-50.4,;-2.2,-51.74,;-2.95,-47.75,;-2.02,-46.51,;-.48,-46.54,;-2.9,-45.25,;-4.38,-45.69,;-5.84,-45.18,;-6.28,-43.71,;-5.49,-42.39,;-6.24,-41.04,;-7.78,-41.02,;-8.53,-39.67,;-3.95,-42.41,;-3.16,-41.08,;-1.62,-41.11,;-6.78,-46.42,;-5.89,-47.69,;-4.41,-47.24,;-8.32,-46.38,;-9.06,-45.03,;-9.12,-47.7,;-9.86,-46.37,)| Show InChI InChI=1S/C22H24ClF3N4/c1-6-8-28(9-7-2)12-17-20(22(24,25)26)27-21-29(17)13-18(23)30(21)19-15(4)10-14(3)11-16(19)5/h6-7,10-11,13H,1-2,8-9,12H2,3-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319892 (CHEMBL1084235 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CC3CCC3)CC(F)(F)F)c(nc12)C(F)(F)F |(39.7,-54.94,;38.93,-53.61,;39.71,-52.27,;38.94,-50.94,;39.7,-49.6,;37.41,-50.94,;36.62,-52.27,;35.09,-52.26,;37.39,-53.6,;36.64,-49.6,;37.57,-48.37,;39.11,-48.4,;36.69,-47.11,;35.21,-47.55,;33.75,-47.04,;33.31,-45.57,;34.1,-44.24,;33.35,-42.9,;31.81,-42.88,;30.74,-41.78,;29.64,-42.85,;30.71,-43.95,;35.64,-44.27,;36.43,-42.94,;37.97,-42.96,;35.67,-41.6,;37.19,-41.6,;32.81,-48.28,;33.7,-49.55,;35.18,-49.1,;31.27,-48.24,;30.53,-46.89,;30.47,-49.56,;29.73,-48.23,)| Show InChI InChI=1S/C23H25ClF6N4/c1-13-7-14(2)19(15(3)8-13)34-18(24)11-33-17(20(23(28,29)30)31-21(33)34)10-32(12-22(25,26)27)9-16-5-4-6-16/h7-8,11,16H,4-6,9-10,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319848 (CHEMBL1083922 | N-((2-chloro-1-(4-methoxy-2-methyl...) Show SMILES CCCN(CC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1ccc(OC)cc1C)C(F)(F)F |(10.57,-13.82,;10.58,-15.36,;9.26,-16.14,;9.27,-17.68,;10.61,-18.44,;11.94,-17.66,;13.47,-17.64,;12.69,-16.32,;7.94,-18.46,;7.95,-20.01,;7.01,-21.24,;7.9,-22.51,;9.38,-22.06,;10.84,-22.57,;11.77,-21.33,;13.31,-21.36,;10.89,-20.07,;9.41,-20.52,;11.61,-23.9,;13.14,-23.9,;13.91,-25.23,;13.13,-26.57,;13.9,-27.91,;13.13,-29.24,;11.59,-26.57,;10.83,-25.23,;9.29,-25.22,;5.47,-21.21,;4.67,-22.52,;4.73,-19.86,;3.93,-21.2,)| Show InChI InChI=1S/C22H26ClF3N4O/c1-4-9-28(11-15-5-6-15)12-18-20(22(24,25)26)27-21-29(18)13-19(23)30(21)17-8-7-16(31-3)10-14(17)2/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319889 (CHEMBL1086594 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCN(CCC1CC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(24.53,3.43,;23.75,2.11,;22.21,2.13,;21.45,3.47,;19.91,3.49,;19.16,4.84,;19.19,6.37,;17.85,5.62,;21.42,.8,;21.86,-.67,;20.92,-1.9,;21.8,-3.17,;23.28,-2.73,;24.75,-3.23,;25.68,-2,;27.22,-2.03,;24.8,-.74,;23.32,-1.18,;25.51,-4.57,;27.04,-4.57,;27.81,-3.23,;27.81,-5.9,;27.04,-7.24,;27.81,-8.57,;25.5,-7.23,;24.73,-5.9,;23.19,-5.89,;19.38,-1.87,;18.64,-.52,;18.58,-3.19,;17.83,-1.86,)| Show InChI InChI=1S/C23H28ClF3N4/c1-5-29(9-8-17-6-7-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)10-14(2)11-16(20)4/h10-11,13,17H,5-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50165012 (CHEMBL192065 | Hydroxy-diphenyl-acetic acid 4-(3-a...) Show SMILES OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H23NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,26H,13-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Affinity for rat Muscarinic acetylcholine receptor M3				Bioorg Med Chem Lett 15: 2093-6 (2005) Article DOI: 10.1016/j.bmcl.2005.02.036 BindingDB Entry DOI: 10.7270/Q2DJ5F4X
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50314009 (CHEMBL1087166 | N-(cyclopropylmethyl)-2,2,3,3,3-pe...) Show SMILES Cc1cc(C)c(N2CCCn3c(CN(CC4CC4)CC(F)(F)C(F)(F)F)c(nc23)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C24H28F8N4/c1-14-9-15(2)19(16(3)10-14)36-8-4-7-35-18(20(23(27,28)29)33-21(35)36)12-34(11-17-5-6-17)13-22(25,26)24(30,31)32/h9-10,17H,4-8,11-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells				Bioorg Med Chem Lett 20: 1905-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.127 BindingDB Entry DOI: 10.7270/Q24Q7V3F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319904 (CHEMBL1083320 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES Cc1cc(C)c(c(C)c1)-n1c(Cl)cn2c(CN(CCC(F)(F)F)CC3CC3)c(nc12)C(F)(F)F |(40.08,-10.57,;39.31,-9.24,;40.09,-7.9,;39.32,-6.57,;40.09,-5.23,;37.79,-6.57,;37.01,-7.89,;35.47,-7.89,;37.77,-9.23,;37.02,-5.23,;37.95,-4,;39.49,-4.03,;37.07,-2.73,;35.59,-3.18,;34.13,-2.67,;33.69,-1.19,;34.48,.13,;36.02,.11,;36.81,1.43,;38.35,1.41,;39.14,2.73,;39.1,.06,;39.88,1.41,;33.73,1.47,;34.52,2.8,;35.86,3.54,;34.54,4.33,;33.19,-3.9,;34.08,-5.17,;35.56,-4.73,;31.65,-3.87,;30.91,-2.52,;30.85,-5.19,;30.11,-3.86,)| Show InChI InChI=1S/C23H25ClF6N4/c1-13-8-14(2)19(15(3)9-13)34-18(24)12-33-17(20(23(28,29)30)31-21(33)34)11-32(10-16-4-5-16)7-6-22(25,26)27/h8-9,12,16H,4-7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319891 (CHEMBL1084511 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCN(CC1CCC1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(-2.09,5.36,;-2.88,4.03,;-4.42,4.06,;-5.17,5.4,;-6.71,5.42,;-7.77,6.52,;-8.88,5.45,;-7.81,4.35,;-5.21,2.73,;-4.76,1.26,;-5.7,.02,;-4.82,-1.25,;-3.34,-.8,;-1.87,-1.3,;-.94,-.07,;.6,-.1,;-1.82,1.19,;-3.31,.75,;-1.11,-2.64,;.42,-2.64,;1.19,-1.3,;1.19,-3.97,;.42,-5.31,;1.18,-6.64,;-1.13,-5.3,;-1.89,-3.97,;-3.43,-3.96,;-7.24,.06,;-7.99,1.41,;-8.04,-1.26,;-8.79,.07,)| Show InChI InChI=1S/C23H28ClF3N4/c1-5-29(11-17-7-6-8-17)12-18-21(23(25,26)27)28-22-30(18)13-19(24)31(22)20-15(3)9-14(2)10-16(20)4/h9-10,13,17H,5-8,11-12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM22568 (1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...) Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6| Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Displacement of [125I]Aminopotentidine from human recombinant histamine H2 receptor expressed in CHOK1 cells after 2 hrs				Bioorg Med Chem Lett 23: 1834-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.025 BindingDB Entry DOI: 10.7270/Q2P55PWC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50314010 (CHEMBL1087167 | N,N-diallyl-8-mesityl-2-(trifluoro...) Show SMILES Cc1cc(C)c(N2CCCn3c2nc(c3C(=O)N(CC=C)CC=C)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C23H27F3N4O/c1-6-9-28(10-7-2)21(31)19-20(23(24,25)26)27-22-29(11-8-12-30(19)22)18-16(4)13-15(3)14-17(18)5/h6-7,13-14H,1-2,8-12H2,3-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells				Bioorg Med Chem Lett 20: 1905-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.127 BindingDB Entry DOI: 10.7270/Q24Q7V3F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50218058 ((R)-N-((1S,5R,6s)-3-(2-(benzo[d][1,3]dioxol-5-yl)e...) Show SMILES OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 |w:1.0| Show InChI InChI=1S/C27H32N2O4/c30-26(27(31,20-8-4-5-9-20)19-6-2-1-3-7-19)28-25-21-15-29(16-22(21)25)13-12-18-10-11-23-24(14-18)33-17-32-23/h1-3,6-7,10-11,14,20-22,25,31H,4-5,8-9,12-13,15-17H2,(H,28,30)/t21-,22+,25+,27?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland				Bioorg Med Chem Lett 17: 5256-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.081 BindingDB Entry DOI: 10.7270/Q27D2W0F
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50319870 (CHEMBL1083102 | N-((2-chloro-1-mesityl-6-(trifluor...) Show SMILES CCCN(CCc1ccccc1)Cc1c(nc2n(c(Cl)cn12)-c1c(C)cc(C)cc1C)C(F)(F)F |(17.66,-9.5,;18.41,-10.85,;17.62,-12.17,;18.37,-13.51,;19.91,-13.54,;20.65,-14.89,;22.19,-14.92,;22.93,-16.27,;24.47,-16.3,;25.26,-14.99,;24.51,-13.63,;22.98,-13.61,;17.58,-14.84,;18.03,-16.31,;17.08,-17.55,;17.97,-18.82,;19.45,-18.37,;20.91,-18.87,;21.85,-17.64,;23.38,-17.67,;20.96,-16.38,;19.48,-16.82,;21.68,-20.21,;23.21,-20.21,;23.98,-18.87,;23.98,-21.54,;23.2,-22.88,;23.97,-24.21,;21.66,-22.87,;20.9,-21.54,;19.36,-21.53,;15.54,-17.51,;14.8,-16.16,;14.75,-18.83,;14,-17.5,)| Show InChI InChI=1S/C27H30ClF3N4/c1-5-12-33(13-11-21-9-7-6-8-10-21)16-22-25(27(29,30)31)32-26-34(22)17-23(28)35(26)24-19(3)14-18(2)15-20(24)4/h6-10,14-15,17H,5,11-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins				Bioorg Med Chem Lett 20: 3669-74 (2010) Article DOI: 10.1016/j.bmcl.2010.04.094 BindingDB Entry DOI: 10.7270/Q2VX0GPF
					More data for this Ligand-Target Pair

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