Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'saunders' and Initial = 'k'   

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
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from recombinant human 5-ht2B expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat salivary gland adrenergic alpha1a receptor				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from recombinant human 5-ht2C expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from recombinant human 5-ht2B expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from recombinant human 5-ht2C expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from rat salivary gland adrenergic alpha1a receptor				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50491639 (CHEMBL2386885) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCC(=O)NCCCC(CCCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 |r| Show InChI InChI=1S/C166H220N42O36/c1-13-19-63-130(203(10)162(241)127(87-109-93-177-115-57-37-34-54-112(109)115)190-150(229)118(181-103(7)209)60-40-43-75-168-137(213)66-22-16-4)159(238)187-124(90-147(223)224)153(232)184-121(84-106-48-28-25-29-49-106)156(235)193-134-97-206(200-197-134)100-144(220)173-81-70-140(216)171-78-46-73-166(165(244)176-80-69-133(167)212,74-47-79-172-141(217)71-82-174-145(221)101-207-98-135(198-201-207)194-157(236)122(85-107-50-30-26-31-51-107)185-154(233)125(91-148(225)226)188-160(239)131(64-20-14-2)204(11)163(242)128(88-110-94-178-116-58-38-35-55-113(110)116)191-151(230)119(182-104(8)210)61-41-44-76-169-138(214)67-23-17-5)196-143(219)96-180-142(218)72-83-175-146(222)102-208-99-136(199-202-208)195-158(237)123(86-108-52-32-27-33-53-108)186-155(234)126(92-149(227)228)189-161(240)132(65-21-15-3)205(12)164(243)129(89-111-95-179-117-59-39-36-56-114(111)117)192-152(231)120(183-105(9)211)62-42-45-77-170-139(215)68-24-18-6/h4-6,25-39,48-59,93-95,97-99,118-132,177-179H,13-15,19-24,40-47,60-92,96,100-102H2,1-3,7-12H3,(H2,167,212)(H,168,213)(H,169,214)(H,170,215)(H,171,216)(H,172,217)(H,173,220)(H,174,221)(H,175,222)(H,176,244)(H,180,218)(H,181,209)(H,182,210)(H,183,211)(H,184,232)(H,185,233)(H,186,234)(H,187,238)(H,188,239)(H,189,240)(H,190,229)(H,191,230)(H,192,231)(H,193,235)(H,194,236)(H,195,237)(H,196,219)(H,223,224)(H,225,226)(H,227,228)/t118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50491638 (CHEMBL2386887) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)NCCCC(CCCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 |r| Show InChI InChI=1S/C184H244N48O42/c1-13-19-66-139(224(10)180(271)136(90-118-96-192-124-60-37-34-57-121(118)124)211-165(256)127(202-112(7)233)63-40-43-78-186-149(237)72-22-16-4)177(268)208-133(93-162(250)251)168(259)205-130(87-115-51-28-25-29-52-115)171(262)214-146-106-227(221-218-146)109-156(244)196-103-159(247)230-84-46-69-142(230)174(265)199-99-152(240)189-81-49-76-184(183(274)191-83-75-145(185)236,77-50-82-190-153(241)100-200-175(266)143-70-47-85-231(143)160(248)104-197-157(245)110-228-107-147(219-222-228)215-172(263)131(88-116-53-30-26-31-54-116)206-169(260)134(94-163(252)253)209-178(269)140(67-20-14-2)225(11)181(272)137(91-119-97-193-125-61-38-35-58-122(119)125)212-166(257)128(203-113(8)234)64-41-44-79-187-150(238)73-23-17-5)217-155(243)102-195-154(242)101-201-176(267)144-71-48-86-232(144)161(249)105-198-158(246)111-229-108-148(220-223-229)216-173(264)132(89-117-55-32-27-33-56-117)207-170(261)135(95-164(254)255)210-179(270)141(68-21-15-3)226(12)182(273)138(92-120-98-194-126-62-39-36-59-123(120)126)213-167(258)129(204-114(9)235)65-42-45-80-188-151(239)74-24-18-6/h4-6,25-39,51-62,96-98,106-108,127-144,192-194H,13-15,19-24,40-50,63-95,99-105,109-111H2,1-3,7-12H3,(H2,185,236)(H,186,237)(H,187,238)(H,188,239)(H,189,240)(H,190,241)(H,191,274)(H,195,242)(H,196,244)(H,197,245)(H,198,246)(H,199,265)(H,200,266)(H,201,267)(H,202,233)(H,203,234)(H,204,235)(H,205,259)(H,206,260)(H,207,261)(H,208,268)(H,209,269)(H,210,270)(H,211,256)(H,212,257)(H,213,258)(H,214,262)(H,215,263)(H,216,264)(H,217,243)(H,250,251)(H,252,253)(H,254,255)/t127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50491641 (CHEMBL2386886) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCC(=O)NCCC(=O)NCCCC(CCCNC(=O)CCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)CCNC(=O)CCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 |r| Show InChI InChI=1S/C175H235N45O39/c1-13-19-63-136(215(10)171(256)133(93-115-99-189-121-57-37-34-54-118(115)121)202-159(244)124(193-109(7)221)60-40-43-78-177-143(225)66-22-16-4)168(253)199-130(96-156(238)239)162(247)196-127(90-112-48-28-25-29-49-112)165(250)205-140-103-218(212-209-140)106-153(235)185-87-72-148(230)182-84-70-146(228)180-81-46-76-175(174(259)188-83-69-139(176)224,77-47-82-181-147(229)71-85-183-149(231)73-88-186-154(236)107-219-104-141(210-213-219)206-166(251)128(91-113-50-30-26-31-51-113)197-163(248)131(97-157(240)241)200-169(254)137(64-20-14-2)216(11)172(257)134(94-116-100-190-122-58-38-35-55-119(116)122)203-160(245)125(194-110(8)222)61-41-44-79-178-144(226)67-23-17-5)208-152(234)102-192-151(233)75-86-184-150(232)74-89-187-155(237)108-220-105-142(211-214-220)207-167(252)129(92-114-52-32-27-33-53-114)198-164(249)132(98-158(242)243)201-170(255)138(65-21-15-3)217(12)173(258)135(95-117-101-191-123-59-39-36-56-120(117)123)204-161(246)126(195-111(9)223)62-42-45-80-179-145(227)68-24-18-6/h4-6,25-39,48-59,99-101,103-105,124-138,189-191H,13-15,19-24,40-47,60-98,102,106-108H2,1-3,7-12H3,(H2,176,224)(H,177,225)(H,178,226)(H,179,227)(H,180,228)(H,181,229)(H,182,230)(H,183,231)(H,184,232)(H,185,235)(H,186,236)(H,187,237)(H,188,259)(H,192,233)(H,193,221)(H,194,222)(H,195,223)(H,196,247)(H,197,248)(H,198,249)(H,199,253)(H,200,254)(H,201,255)(H,202,244)(H,203,245)(H,204,246)(H,205,250)(H,206,251)(H,207,252)(H,208,234)(H,238,239)(H,240,241)(H,242,243)/t124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50491636 (CHEMBL2386884) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 |r| Show InChI InChI=1S/C157H205N39O33/c1-13-19-63-124(191(10)153(226)121(81-103-87-165-109-57-37-34-54-106(103)109)178-141(214)112(169-97(7)197)60-40-43-72-159-131(201)66-22-16-4)150(223)175-118(84-138(208)209)144(217)172-115(78-100-48-28-25-29-49-100)147(220)181-128-91-194(188-185-128)94-135(205)162-75-46-70-157(156(229)164-77-69-127(158)200,71-47-76-163-136(206)95-195-92-129(186-189-195)182-148(221)116(79-101-50-30-26-31-51-101)173-145(218)119(85-139(210)211)176-151(224)125(64-20-14-2)192(11)154(227)122(82-104-88-166-110-58-38-35-55-107(104)110)179-142(215)113(170-98(8)198)61-41-44-73-160-132(202)67-23-17-5)184-134(204)90-168-137(207)96-196-93-130(187-190-196)183-149(222)117(80-102-52-32-27-33-53-102)174-146(219)120(86-140(212)213)177-152(225)126(65-21-15-3)193(12)155(228)123(83-105-89-167-111-59-39-36-56-108(105)111)180-143(216)114(171-99(9)199)62-42-45-74-161-133(203)68-24-18-6/h4-6,25-39,48-59,87-89,91-93,112-126,165-167H,13-15,19-24,40-47,60-86,90,94-96H2,1-3,7-12H3,(H2,158,200)(H,159,201)(H,160,202)(H,161,203)(H,162,205)(H,163,206)(H,164,229)(H,168,207)(H,169,197)(H,170,198)(H,171,199)(H,172,217)(H,173,218)(H,174,219)(H,175,223)(H,176,224)(H,177,225)(H,178,214)(H,179,215)(H,180,216)(H,181,220)(H,182,221)(H,183,222)(H,184,204)(H,208,209)(H,210,211)(H,212,213)/t112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50491635 (CHEMBL2386882) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cn(CC(=O)NCCCC(CCCNC(=O)Cn2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)(NC(=O)CNC(=O)Cn2cc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)nn2)C(=O)NCCC(N)=O)nn1 |r| Show InChI InChI=1S/C202H277N63O45/c1-10-16-57-139(235-195(307)157(112-266)250-174(286)136(229-118(7)269)63-37-40-81-213-164(273)69-19-13-4)177(289)238-145(72-75-171(280)281)183(295)247-154(96-127-102-210-115-226-127)189(301)241-148(90-121-48-25-22-26-49-121)186(298)232-142(66-43-84-219-199(204)205)180(292)244-151(93-124-99-222-133-60-34-31-54-130(124)133)192(304)253-161-106-263(260-257-161)109-168(277)216-87-46-79-202(198(310)218-89-78-160(203)272,80-47-88-217-169(278)110-264-107-162(258-261-264)254-193(305)152(94-125-100-223-134-61-35-32-55-131(125)134)245-181(293)143(67-44-85-220-200(206)207)233-187(299)149(91-122-50-27-23-28-51-122)242-190(302)155(97-128-103-211-116-227-128)248-184(296)146(73-76-172(282)283)239-178(290)140(58-17-11-2)236-196(308)158(113-267)251-175(287)137(230-119(8)270)64-38-41-82-214-165(274)70-20-14-5)256-167(276)105-225-170(279)111-265-108-163(259-262-265)255-194(306)153(95-126-101-224-135-62-36-33-56-132(126)135)246-182(294)144(68-45-86-221-201(208)209)234-188(300)150(92-123-52-29-24-30-53-123)243-191(303)156(98-129-104-212-117-228-129)249-185(297)147(74-77-173(284)285)240-179(291)141(59-18-12-3)237-197(309)159(114-268)252-176(288)138(231-120(9)271)65-39-42-83-215-166(275)71-21-15-6/h4-6,22-36,48-56,60-62,99-104,106-108,115-117,136-159,222-224,266-268H,10-12,16-21,37-47,57-59,63-98,105,109-114H2,1-3,7-9H3,(H2,203,272)(H,210,226)(H,211,227)(H,212,228)(H,213,273)(H,214,274)(H,215,275)(H,216,277)(H,217,278)(H,218,310)(H,225,279)(H,229,269)(H,230,270)(H,231,271)(H,232,298)(H,233,299)(H,234,300)(H,235,307)(H,236,308)(H,237,309)(H,238,289)(H,239,290)(H,240,291)(H,241,301)(H,242,302)(H,243,303)(H,244,292)(H,245,293)(H,246,294)(H,247,295)(H,248,296)(H,249,297)(H,250,286)(H,251,287)(H,252,288)(H,253,304)(H,254,305)(H,255,306)(H,256,276)(H,280,281)(H,282,283)(H,284,285)(H4,204,205,219)(H4,206,207,220)(H4,208,209,221)/t136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148+,149+,150+,151-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Binding affinity to MC4R in HEK293 cells				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50428121 (CHEMBL2331674) Show SMILES NC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:183.194,56.57,119.125,wD:151.160,161.171,172.183,45.46,97.102,34.34,24.23,108.114,87.91,(43.34,-23.24,;42.87,-24.71,;43.9,-25.84,;41.37,-25.04,;40.9,-26.5,;39.4,-26.83,;38.94,-28.29,;39.97,-29.43,;37.43,-28.62,;37.49,-27.07,;36.45,-25.95,;36.91,-24.48,;35.87,-23.35,;36.17,-21.84,;35.01,-20.82,;37.63,-21.35,;37.93,-19.84,;39.33,-19.19,;39.16,-17.66,;40.29,-16.62,;41.75,-17.08,;42.88,-16.04,;42.55,-14.54,;44.35,-16.5,;45.69,-15.76,;47.02,-16.56,;48.38,-15.83,;48.57,-14.3,;50.08,-14.01,;50.83,-15.36,;49.78,-16.48,;45.73,-14.22,;44.42,-13.41,;47.08,-13.48,;47.12,-11.94,;45.81,-11.14,;45.84,-9.59,;44.52,-8.79,;44.56,-7.25,;45.91,-6.51,;47.22,-7.31,;47.19,-8.85,;48.48,-11.2,;49.8,-12,;48.51,-9.65,;49.87,-8.92,;51.18,-9.72,;52.54,-8.98,;53.85,-9.77,;55.21,-9.04,;56.52,-9.83,;56.48,-11.37,;57.87,-9.09,;49.91,-7.37,;48.58,-6.56,;51.26,-6.63,;51.3,-5.09,;49.97,-4.28,;50,-2.74,;51.27,-1.87,;50.82,-.4,;49.29,-.36,;48.29,.81,;46.77,.55,;46.26,-.93,;47.26,-2.09,;48.77,-1.81,;52.64,-4.35,;52.68,-2.8,;53.95,-5.15,;37.65,-17.36,;36.89,-18.7,;35.88,-28.54,;34.83,-27.41,;33.33,-27.75,;32.29,-26.61,;30.75,-26.64,;30,-27.99,;29.96,-25.32,;28.43,-25.34,;27.49,-24.11,;26.03,-24.61,;24.78,-23.73,;23.38,-24.38,;22.13,-23.5,;22.26,-21.96,;20.74,-24.14,;19.4,-23.39,;19.39,-21.84,;18.05,-21.06,;16.65,-21.71,;15.61,-20.56,;16.37,-19.22,;17.87,-19.53,;18.06,-24.16,;18.07,-25.7,;16.73,-23.4,;15.4,-24.17,;15.4,-25.71,;14.07,-26.49,;12.73,-25.73,;11.41,-26.51,;11.42,-28.06,;12.76,-28.81,;14.09,-28.04,;14.06,-23.4,;14.05,-21.87,;12.72,-24.19,;11.39,-23.42,;11.39,-21.89,;10.04,-21.11,;10.04,-19.58,;8.69,-18.81,;8.68,-17.28,;7.34,-16.51,;10.02,-16.5,;10.05,-24.2,;10.06,-25.75,;8.71,-23.44,;7.37,-24.22,;7.38,-25.76,;6.06,-26.54,;4.66,-25.93,;3.63,-27.07,;4.4,-28.4,;3.93,-29.86,;4.97,-31.02,;6.48,-30.68,;6.95,-29.22,;5.91,-28.08,;6.05,-23.45,;4.71,-24.23,;6.04,-21.92,;26.06,-26.15,;27.53,-26.6,;36.97,-30.08,;35.46,-30.41,;34.43,-29.28,;35,-31.88,;33.49,-32.21,;33.03,-33.67,;34.07,-34.81,;31.53,-34,;31.06,-35.47,;29.6,-35.96,;29.61,-37.5,;28.37,-38.41,;26.96,-37.79,;25.72,-38.71,;25.89,-40.24,;24.31,-38.09,;22.99,-38.86,;21.64,-38.1,;20.31,-38.87,;20.16,-40.41,;18.66,-40.74,;17.87,-39.41,;18.89,-38.26,;22.99,-40.41,;24.33,-41.18,;21.66,-41.19,;21.67,-42.73,;23.01,-43.49,;23.01,-45.03,;24.36,-45.79,;24.37,-47.34,;23.04,-48.11,;21.7,-47.36,;21.69,-45.82,;20.33,-43.5,;19,-42.74,;20.35,-45.05,;19.02,-45.82,;17.69,-45.06,;16.34,-45.84,;15.01,-45.07,;13.67,-45.86,;12.34,-45.09,;12.33,-43.55,;11,-45.88,;19.02,-47.37,;20.37,-48.14,;17.7,-48.15,;17.7,-49.69,;19.04,-50.47,;19.06,-52,;17.82,-52.91,;18.3,-54.37,;19.84,-54.36,;20.87,-55.5,;22.38,-55.18,;22.85,-53.71,;21.81,-52.57,;20.31,-52.9,;16.37,-50.47,;16.37,-52.02,;15.04,-49.7,;31.07,-37.96,;31.97,-36.72,)| Show InChI InChI=1S/C130H166N48O21/c131-106(179)42-50-146-126(199)130(43-19-48-144-111(184)70-176-67-82(170-173-176)36-39-107(180)157-103(57-85-63-141-73-154-85)123(196)166-100(51-76-21-4-1-5-22-76)120(193)160-94(33-16-45-147-127(135)136)117(190)163-97(114(132)187)54-79-60-150-91-30-13-10-27-88(79)91,44-20-49-145-112(185)71-177-68-83(171-174-177)37-40-108(181)158-104(58-86-64-142-74-155-86)124(197)167-101(52-77-23-6-2-7-24-77)121(194)161-95(34-17-46-148-128(137)138)118(191)164-98(115(133)188)55-80-61-151-92-31-14-11-28-89(80)92)169-110(183)66-153-113(186)72-178-69-84(172-175-178)38-41-109(182)159-105(59-87-65-143-75-156-87)125(198)168-102(53-78-25-8-3-9-26-78)122(195)162-96(35-18-47-149-129(139)140)119(192)165-99(116(134)189)56-81-62-152-93-32-15-12-29-90(81)93/h1-15,21-32,60-65,67-69,73-75,94-105,150-152H,16-20,33-59,66,70-72H2,(H2,131,179)(H2,132,187)(H2,133,188)(H2,134,189)(H,141,154)(H,142,155)(H,143,156)(H,144,184)(H,145,185)(H,146,199)(H,153,186)(H,157,180)(H,158,181)(H,159,182)(H,160,193)(H,161,194)(H,162,195)(H,163,190)(H,164,191)(H,165,192)(H,166,196)(H,167,197)(H,168,198)(H,169,183)(H4,135,136,147)(H4,137,138,148)(H4,139,140,149)/t94-,95-,96-,97-,98-,99-,100+,101+,102+,103-,104-,105-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Displacement of Eu-NDP-alpha-MSH from human MC4R expressed in HEK293 cells by time resolved fluorescence binding assay				ACS Med Chem Lett 4: 98-102 (2013) Article DOI: 10.1021/ml300312b BindingDB Entry DOI: 10.7270/Q2D50P8X
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50491637 (CHEMBL2386888) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C44H58N8O9/c1-5-7-21-37(43(60)50-35(26-39(55)56)42(59)49-34(40(45)57)24-29-16-10-9-11-17-29)52(4)44(61)36(25-30-27-47-32-19-13-12-18-31(30)32)51-41(58)33(48-28(3)53)20-14-15-23-46-38(54)22-8-6-2/h2,9-13,16-19,27,33-37,47H,5,7-8,14-15,20-26H2,1,3-4H3,(H2,45,57)(H,46,54)(H,48,53)(H,49,59)(H,50,60)(H,51,58)(H,55,56)/t33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262528 (CHEMBL4088039) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c2ncccc2c1 Show InChI InChI=1S/C28H43N3O3S/c1-2-3-10-23-21-24-11-9-16-29-28(24)27(22-23)34-25-14-19-31(20-15-25)18-8-7-17-30-35(32,33)26-12-5-4-6-13-26/h9,11,16,21-22,25-26,30H,2-8,10,12-15,17-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262520 (CHEMBL4098192) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(C)(=O)=O)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H35N3O3S/c1-3-4-8-19-17-20-9-7-12-24-23(20)22(18-19)29-21-10-15-26(16-11-21)14-6-5-13-25-30(2,27)28/h7,9,12,17-18,21,25H,3-6,8,10-11,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262537 (CHEMBL4080880) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCS(=O)(=O)CCC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H36N2O3S/c1-3-5-8-20-18-21-9-6-12-25-24(21)23(19-20)29-22-10-14-26(15-11-22)13-7-17-30(27,28)16-4-2/h6,9,12,18-19,22H,3-5,7-8,10-11,13-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50491640 (CHEMBL2386883) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)CCC#C)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C59H82N16O13/c1-4-6-19-42(70-58(88)48(33-76)75-52(82)41(68-35(3)77)21-13-14-26-64-49(78)23-7-5-2)53(83)71-44(24-25-50(79)80)55(85)74-47(30-38-32-63-34-67-38)57(87)73-46(28-36-16-9-8-10-17-36)56(86)69-43(22-15-27-65-59(61)62)54(84)72-45(51(60)81)29-37-31-66-40-20-12-11-18-39(37)40/h2,8-12,16-18,20,31-32,34,41-48,66,76H,4,6-7,13-15,19,21-30,33H2,1,3H3,(H2,60,81)(H,63,67)(H,64,78)(H,68,77)(H,69,86)(H,70,88)(H,71,83)(H,72,84)(H,73,87)(H,74,85)(H,75,82)(H,79,80)(H4,61,62,65)/t41-,42-,43-,44-,45-,46+,47-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P et M Curie Curated by ChEMBL					Assay Description Binding affinity to MC4R in HEK293 cells				Bioorg Med Chem Lett 23: 2422-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.022 BindingDB Entry DOI: 10.7270/Q2RF5XZJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262527 (CHEMBL4082646) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C26H41N3O3S/c1-4-5-9-22-18-23-10-8-13-27-26(23)25(19-22)32-24-11-16-29(17-12-24)15-7-6-14-28-33(30,31)20-21(2)3/h8,10,13,18-19,21,24,28H,4-7,9,11-12,14-17,20H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50428120 (CHEMBL2331673) Show SMILES CC(=O)NCC(=O)NC(CCCNC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)C(=O)NCCC(N)=O |r| Show InChI InChI=1S/C275H356N100O46/c1-161(376)316-140-231(386)355-273(264(419)307-107-86-222(276)377,89-38-101-301-223(378)87-108-308-265(420)274(91-40-103-303-234(389)149-370-143-174(358-364-370)74-80-225(380)331-216(122-180-134-295-155-325-180)258(413)349-210(110-162-44-8-2-9-45-162)252(407)337-198(68-32-95-310-267(283)284)246(401)343-204(240(277)395)116-168-128-317-192-62-26-20-56-186(168)192,92-41-104-304-235(390)150-371-144-175(359-365-371)75-81-226(381)332-217(123-181-135-296-156-326-181)259(414)350-211(111-163-46-10-3-11-47-163)253(408)338-199(69-33-96-311-268(285)286)247(402)344-205(241(278)396)117-169-129-318-193-63-27-21-57-187(169)193)356-232(387)141-323-238(393)153-374-147-178(362-368-374)78-84-229(384)335-220(126-184-138-299-159-329-184)262(417)353-214(114-166-52-16-6-17-53-166)256(411)341-202(72-36-99-314-271(291)292)250(405)347-208(244(281)399)120-172-132-321-196-66-30-24-60-190(172)196)90-39-102-302-224(379)88-109-309-266(421)275(93-42-105-305-236(391)151-372-145-176(360-366-372)76-82-227(382)333-218(124-182-136-297-157-327-182)260(415)351-212(112-164-48-12-4-13-49-164)254(409)339-200(70-34-97-312-269(287)288)248(403)345-206(242(279)397)118-170-130-319-194-64-28-22-58-188(170)194,94-43-106-306-237(392)152-373-146-177(361-367-373)77-83-228(383)334-219(125-183-137-298-158-328-183)261(416)352-213(113-165-50-14-5-15-51-165)255(410)340-201(71-35-98-313-270(289)290)249(404)346-207(243(280)398)119-171-131-320-195-65-29-23-59-189(171)195)357-233(388)142-324-239(394)154-375-148-179(363-369-375)79-85-230(385)336-221(127-185-139-300-160-330-185)263(418)354-215(115-167-54-18-7-19-55-167)257(412)342-203(73-37-100-315-272(293)294)251(406)348-209(245(282)400)121-173-133-322-197-67-31-25-61-191(173)197/h2-31,44-67,128-139,143-148,155-160,198-221,317-322H,32-43,68-127,140-142,149-154H2,1H3,(H2,276,377)(H2,277,395)(H2,278,396)(H2,279,397)(H2,280,398)(H2,281,399)(H2,282,400)(H,295,325)(H,296,326)(H,297,327)(H,298,328)(H,299,329)(H,300,330)(H,301,378)(H,302,379)(H,303,389)(H,304,390)(H,305,391)(H,306,392)(H,307,419)(H,308,420)(H,309,421)(H,316,376)(H,323,393)(H,324,394)(H,331,380)(H,332,381)(H,333,382)(H,334,383)(H,335,384)(H,336,385)(H,337,407)(H,338,408)(H,339,409)(H,340,410)(H,341,411)(H,342,412)(H,343,401)(H,344,402)(H,345,403)(H,346,404)(H,347,405)(H,348,406)(H,349,413)(H,350,414)(H,351,415)(H,352,416)(H,353,417)(H,354,418)(H,355,386)(H,356,387)(H,357,388)(H4,283,284,310)(H4,285,286,311)(H4,287,288,312)(H4,289,290,313)(H4,291,292,314)(H4,293,294,315)/t198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210+,211+,212+,213+,214+,215+,216-,217-,218-,219-,220-,221-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Displacement of Eu-NDP-alpha-MSH from human MC4R expressed in HEK293 cells by time resolved fluorescence binding assay				ACS Med Chem Lett 4: 98-102 (2013) Article DOI: 10.1021/ml300312b BindingDB Entry DOI: 10.7270/Q2D50P8X
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262519 (CHEMBL4080166) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H35N3O3S/c1-3-5-8-19-17-20-9-6-12-24-23(20)22(18-19)29-21-10-15-26(16-11-21)14-7-13-25-30(27,28)4-2/h6,9,12,17-18,21,25H,3-5,7-8,10-11,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262495 (CHEMBL4098917) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C23H34N2O3S/c1-3-5-8-19-17-20-9-6-12-24-23(20)22(18-19)28-21-10-14-25(15-11-21)13-7-16-29(26,27)4-2/h6,9,12,17-18,21H,3-5,7-8,10-11,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262491 (CHEMBL4079248) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C22H33N3O3S/c1-3-5-7-18-16-19-8-6-11-23-22(19)21(17-18)28-20-9-13-25(14-10-20)15-12-24-29(26,27)4-2/h6,8,11,16-17,20,24H,3-5,7,9-10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262538 (CHEMBL4059750) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CCC)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H39N3O3S/c1-3-5-9-21-19-22-10-8-13-26-25(22)24(20-21)31-23-11-16-28(17-12-23)15-7-6-14-27-32(29,30)18-4-2/h8,10,13,19-20,23,27H,3-7,9,11-12,14-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262496 (CHEMBL4102287) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H36N2O3S/c1-4-5-8-20-17-21-9-6-12-25-24(21)23(18-20)29-22-10-14-26(15-11-22)13-7-16-30(27,28)19(2)3/h6,9,12,17-19,22H,4-5,7-8,10-11,13-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262536 (CHEMBL4063163) Show SMILES CCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H39N3O3S/c1-3-5-9-21-19-22-10-8-14-26-25(22)24(20-21)31-23-11-16-28(17-12-23)15-6-7-18-32(29,30)27-13-4-2/h8,10,14,19-20,23,27H,3-7,9,11-13,15-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262526 (CHEMBL4060765) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H39N3O3S/c1-4-5-9-21-18-22-10-8-13-26-25(22)24(19-21)31-23-11-16-28(17-12-23)15-7-6-14-27-32(29,30)20(2)3/h8,10,13,18-20,23,27H,4-7,9,11-12,14-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262518 (CHEMBL4068414) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCC(C)S(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H36N2O3S.2ClH/c1-4-6-8-20-17-21-9-7-13-25-24(21)23(18-20)29-22-11-15-26(16-12-22)14-10-19(3)30(27,28)5-2;;/h7,9,13,17-19,22H,4-6,8,10-12,14-16H2,1-3H3;2*1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262518 (CHEMBL4068414) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCC(C)S(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H36N2O3S.2ClH/c1-4-6-8-20-17-21-9-7-13-25-24(21)23(18-20)29-22-11-15-26(16-12-22)14-10-19(3)30(27,28)5-2;;/h7,9,13,17-19,22H,4-6,8,10-12,14-16H2,1-3H3;2*1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262568 (CHEMBL4065123) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCN(C)S(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H39N3O3S/c1-4-6-10-21-19-22-11-9-14-26-25(22)24(20-21)31-23-12-17-28(18-13-23)16-8-7-15-27(3)32(29,30)5-2/h9,11,14,19-20,23H,4-8,10,12-13,15-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262535 (CHEMBL4069073) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H39N3O3S/c1-5-6-9-20-18-21-10-7-13-26-24(21)23(19-20)31-22-11-15-28(16-12-22)14-8-17-32(29,30)27-25(2,3)4/h7,10,13,18-19,22,27H,5-6,8-9,11-12,14-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262512 (CHEMBL4095759) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C26H40N2O3S/c1-5-6-10-21-19-22-11-9-14-27-25(22)24(20-21)31-23-12-16-28(17-13-23)15-7-8-18-32(29,30)26(2,3)4/h9,11,14,19-20,23H,5-8,10,12-13,15-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262493 (CHEMBL4060529) Show SMILES Cl.Cl.COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r| Show InChI InChI=1S/C27H33ClN4O3.2ClH/c1-35-17-5-9-26(33)29-14-16-31-15-4-6-22(31)19-32-27(34)24-8-3-2-7-23(24)25(30-32)18-20-10-12-21(28)13-11-20;;/h2-3,7-8,10-13,22H,4-6,9,14-19H2,1H3,(H,29,33);2*1H/t22-;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262497 (CHEMBL4084325) Show SMILES CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C25H38N2O3S/c1-5-6-9-20-18-21-10-7-13-26-24(21)23(19-20)30-22-11-15-27(16-12-22)14-8-17-31(28,29)25(2,3)4/h7,10,13,18-19,22H,5-6,8-9,11-12,14-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]AF-DX 384 from recombinant human M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262529 (CHEMBL4090136) Show SMILES CCCCc1cc(OC2CCN(CCS(=O)(=O)NC(C)(C)C)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-5-6-8-19-17-20-9-7-12-25-23(20)22(18-19)30-21-10-13-27(14-11-21)15-16-31(28,29)26-24(2,3)4/h7,9,12,17-18,21,26H,5-6,8,10-11,13-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	CHEMBL5286389 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50262494 (CHEMBL4085417) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C22H32N2O3S/c1-3-5-7-18-16-19-8-6-11-23-22(19)21(17-18)27-20-9-12-24(13-10-20)14-15-28(25,26)4-2/h6,8,11,16-17,20H,3-5,7,9-10,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	CHEMBL5282336 Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50428122 (CHEMBL2331675) Show SMILES CC(=O)NCCCC(CCCNC(C)=O)(NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)nn1)C(=O)NCCC(N)=O |r,wU:63.64,wD:31.30,41.41,52.53,(25.31,-2.71,;25.77,-1.25,;24.73,-.1,;27.27,-.89,;28.31,-2.04,;29.81,-1.7,;30.85,-2.82,;32.4,-2.89,;32.46,-1.37,;31.42,-.22,;31.88,1.25,;30.84,2.37,;31.3,3.84,;32.8,4.17,;30.27,4.97,;31.94,-4.37,;30.44,-4.69,;29.4,-3.57,;29.97,-6.16,;28.47,-6.49,;28,-7.95,;29.04,-9.09,;26.5,-8.28,;26.04,-9.75,;24.57,-10.24,;24.58,-11.78,;23.35,-12.69,;21.94,-12.07,;20.7,-12.98,;20.87,-14.51,;19.29,-12.37,;17.97,-13.15,;16.63,-12.38,;15.29,-13.15,;15.14,-14.69,;13.64,-15.01,;12.86,-13.69,;13.88,-12.54,;17.97,-14.69,;19.31,-15.45,;16.64,-15.46,;16.65,-17,;17.99,-17.77,;17.99,-19.31,;16.67,-20.09,;16.68,-21.63,;18.02,-22.39,;19.35,-21.61,;19.34,-20.07,;15.31,-17.78,;13.98,-17.01,;15.32,-19.33,;14,-20.1,;12.66,-19.33,;11.33,-20.11,;9.99,-19.35,;8.66,-20.13,;7.32,-19.37,;7.32,-17.83,;5.99,-20.15,;14,-21.64,;15.35,-22.42,;12.67,-22.42,;12.68,-23.97,;14.02,-24.74,;14.03,-26.27,;12.8,-27.18,;13.28,-28.64,;14.81,-28.64,;15.85,-29.77,;17.35,-29.45,;17.82,-27.98,;16.79,-26.84,;15.29,-27.17,;11.35,-24.74,;11.35,-26.28,;10.02,-23.97,;26.05,-12.24,;26.94,-11,;33.91,-2.58,;34.94,-3.7,;34.37,-1.1,;35.87,-.79,;36.34,.69,;37.84,1.01,;38.3,2.48,;38.87,-.13,)| Show InChI InChI=1S/C56H77N19O12/c1-34(76)61-22-9-19-56(20-10-23-62-35(2)77,54(87)63-24-18-46(57)78)72-48(80)30-66-49(81)32-75-31-38(73-74-75)16-17-47(79)68-44(27-39-29-60-33-67-39)52(84)70-43(25-36-11-4-3-5-12-36)51(83)69-42(15-8-21-64-55(58)59)50(82)71-45(53(85)86)26-37-28-65-41-14-7-6-13-40(37)41/h3-7,11-14,28-29,31,33,42-45,65H,8-10,15-27,30,32H2,1-2H3,(H2,57,78)(H,60,67)(H,61,76)(H,62,77)(H,63,87)(H,66,81)(H,68,79)(H,69,83)(H,70,84)(H,71,82)(H,72,80)(H,85,86)(H4,58,59,64)/t42-,43+,44-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ P. et M. Curie Curated by ChEMBL					Assay Description Displacement of Eu-NDP-alpha-MSH from human MC4R expressed in HEK293 cells by time resolved fluorescence binding assay				ACS Med Chem Lett 4: 98-102 (2013) Article DOI: 10.1021/ml300312b BindingDB Entry DOI: 10.7270/Q2D50P8X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50341448 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Displacement of [3H]AF-DX 384 from recombinant human M1 receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	CHEMBL5286389 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens)	CHEMBL5286389 Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50262492 (CHEMBL4088036) Show SMILES Cl.Cl.CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1 Show InChI InChI=1S/C24H37N3O3S/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, United Kingdom. Electronic address: pan.a.procopiou@gsk.com. Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 27: 4914-4919 (2017) Article DOI: 10.1016/j.bmcl.2017.09.020 BindingDB Entry DOI: 10.7270/Q2ZS300C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	CHEMBL5286389 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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