Compile Data Set for Download or QSAR

Found 10 hits of ec50 data for polymerid = 49000301   

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
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at recombinant neuromedin B receptor (unknown origin) expressed in baculovirus-transduced HEK293 cells assessed as intracellular cal...				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50147019 (3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...) Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17.7	n/a	n/a	n/a	n/a
Tularik Inc. Curated by ChEMBL					Assay Description Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 3037-42 (2004) Article DOI: 10.1016/j.bmcl.2004.04.045 BindingDB Entry DOI: 10.7270/Q2PR7VF7
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50147019 (3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...) Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Tularik Inc. Curated by ChEMBL					Assay Description Affinity of [125I]-[D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells				Bioorg Med Chem Lett 14: 3037-42 (2004) Article DOI: 10.1016/j.bmcl.2004.04.045 BindingDB Entry DOI: 10.7270/Q2PR7VF7
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50071745 (CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay				J Med Chem 46: 1918-30 (2003) Article DOI: 10.1021/jm0210921 BindingDB Entry DOI: 10.7270/Q29S1QDS
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50147019 (3-[3-(2,6-Diisopropyl-phenyl)-ureido]-5-methoxy-2,...) Show SMILES COc1cccc2[nH]c3CCC(Cc3c12)(NC(=O)Nc1c(cccc1C(C)C)C(C)C)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C39H49N5O3/c1-25(2)27-13-11-14-28(26(3)4)35(27)43-37(46)44-39(21-18-30-29(23-39)34-31(42-30)15-12-16-32(34)47-5)36(45)41-24-38(19-8-6-9-20-38)33-17-7-10-22-40-33/h7,10-17,22,25-26,42H,6,8-9,18-21,23-24H2,1-5H3,(H,41,45)(H2,43,44,46)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
Tularik Inc. Curated by ChEMBL					Assay Description Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate				Bioorg Med Chem Lett 14: 3037-42 (2004) Article DOI: 10.1016/j.bmcl.2004.04.045 BindingDB Entry DOI: 10.7270/Q2PR7VF7
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50127519 (CHEMBL262992 | [D-Tyr6-, Beta-Ala11, Phe13, Nle14]...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O Show InChI InChI=1S/C58H79N11O11/c1-6-7-19-43(58(79)80)63-52(73)46(31-38-17-12-9-13-18-38)67-56(77)50(36(4)5)68-49(71)25-26-61-51(72)44(28-35(2)3)64-54(75)47(32-40-33-60-34-62-40)65-53(74)45(30-37-15-10-8-11-16-37)66-55(76)48-20-14-27-69(48)57(78)42(59)29-39-21-23-41(70)24-22-39/h8-13,15-18,21-24,33-36,42-48,50,70H,6-7,14,19-20,25-32,59H2,1-5H3,(H,60,62)(H,61,72)(H,63,73)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,71)(H,79,80)/t42-,43+,44+,45+,46+,47+,48+,50+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay				J Med Chem 46: 1918-30 (2003) Article DOI: 10.1021/jm0210921 BindingDB Entry DOI: 10.7270/Q29S1QDS
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50147021 (3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetr...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1 Show InChI InChI=1S/C38H47N5O2/c1-25(2)27-14-12-15-28(26(3)4)34(27)42-36(45)43-38(21-18-32-30(23-38)29-13-6-7-16-31(29)41-32)35(44)40-24-37(19-9-5-10-20-37)33-17-8-11-22-39-33/h6-8,11-17,22,25-26,41H,5,9-10,18-21,23-24H2,1-4H3,(H,40,44)(H2,42,43,45)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	603	n/a	n/a	n/a	n/a
Tularik Inc. Curated by ChEMBL					Assay Description Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate				Bioorg Med Chem Lett 14: 3037-42 (2004) Article DOI: 10.1016/j.bmcl.2004.04.045 BindingDB Entry DOI: 10.7270/Q2PR7VF7
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50127532 (CHEMBL438926 | Val-Pro-Leu-Pro-Ala-Gly-Gly-Gly-Thr...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay				J Med Chem 46: 1918-30 (2003) Article DOI: 10.1021/jm0210921 BindingDB Entry DOI: 10.7270/Q29S1QDS
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50127522 (2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[...) Show SMILES NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay				J Med Chem 46: 1918-30 (2003) Article DOI: 10.1021/jm0210921 BindingDB Entry DOI: 10.7270/Q29S1QDS
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50127535 (2-[2-(4-Chloro-phenyl)-acetylamino]-pentanedioic a...) Show SMILES NC(=O)CCC(NC(=O)Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H34ClN5O4/c33-24-12-10-22(11-13-24)18-30(40)37-27(14-15-29(34)39)32(42)38-28(19-23-20-36-26-9-5-4-8-25(23)26)31(41)35-17-16-21-6-2-1-3-7-21/h1-13,20,27-28,36H,14-19H2,(H2,34,39)(H,35,41)(H,37,40)(H,38,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay				J Med Chem 46: 1918-30 (2003) Article DOI: 10.1021/jm0210921 BindingDB Entry DOI: 10.7270/Q29S1QDS
					More data for this Ligand-Target Pair