Compile Data Set for Download or QSAR

Found 483 hits with Last Name = 'valeur' and Initial = 'e'   

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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50452156 (CHEMBL4211294) Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC3=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C117H179N35O39S6/c1-49(2)32-65-114(189)150-29-18-24-75(150)105(180)144-86(51(5)6)108(183)137-68-43-192-193-44-69-101(176)147-91(56(12)157)113(188)140-71-46-195-196-47-72(141-112(187)90(55(11)156)146-96(171)62(26-27-84(166)167)129-80(162)39-126-94(68)169)102(177)143-85(50(3)4)107(182)128-37-79(161)124-38-83(165)142-88(53(9)154)110(185)139-70(99(174)134-64(35-78(119)160)97(172)149-92(57(13)158)116(191)152-31-17-23-74(152)104(179)127-41-82(164)131-69)45-194-197-48-73(103(178)148-89(54(10)155)111(186)132-61(22-16-28-122-117(120)121)95(170)133-63(34-77(118)159)93(168)125-40-81(163)130-65)138-109(184)87(52(7)8)145-106(181)76-25-19-30-151(76)115(190)66(135-98(173)67(42-153)136-100(71)175)33-58-36-123-60-21-15-14-20-59(58)60/h14-15,20-21,36,49-57,61-76,85-92,123,153-158H,16-19,22-35,37-48H2,1-13H3,(H2,118,159)(H2,119,160)(H,124,161)(H,125,168)(H,126,169)(H,127,179)(H,128,182)(H,129,162)(H,130,163)(H,131,164)(H,132,186)(H,133,170)(H,134,174)(H,135,173)(H,136,175)(H,137,183)(H,138,184)(H,139,185)(H,140,188)(H,141,187)(H,142,165)(H,143,177)(H,144,180)(H,145,181)(H,146,171)(H,147,176)(H,148,178)(H,149,172)(H,166,167)(H4,120,121,122)/t53-,54-,55-,56-,57-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,85+,86+,87+,88+,89+,90+,91+,92+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK cell membranes after 1 hr by liquid scintillation counting				J Med Chem 61: 9004-9029 (2018) Article DOI: 10.1021/acs.jmedchem.8b00378 BindingDB Entry DOI: 10.7270/Q2N301BF
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29840 (spiro-carboxamide scaffold, 13) Show SMILES O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1 Show InChI InChI=1S/C19H25NO/c21-17(19(11-12-19)16-7-3-1-4-8-16)20-14-13-18(15-20)9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-15H2	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	0.5	n/a	n/a	n/a	n/a	7.4	37
Merck-Serono					Assay Description 11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...				Bioorg Med Chem Lett 19: 3682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.123 BindingDB Entry DOI: 10.7270/Q2X065DQ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251420 (US9452990, 102) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1(C)COC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H34FN7O4/c1-29(16-41-17-29)15-33-21(19-6-4-18(14-31)5-7-19)13-23(38)36-8-10-37(11-9-36)28-34-25-20(27(32)35-28)12-22(39-2)26(40-3)24(25)30/h4-7,12,21,33H,8-11,13,15-17H2,1-3H3,(H2,32,34,35)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251408 (US9452990, 90) Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H30FN7O3/c1-4-30-19(17-7-5-16(15-28)6-8-17)14-21(35)33-9-11-34(12-10-33)26-31-23-18(25(29)32-26)13-20(36-2)24(37-3)22(23)27/h5-8,13,19,30H,4,9-12,14H2,1-3H3,(H2,29,31,32)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29839 (spiro-carboxamide scaffold, 12) Show SMILES CC(C)(C(=O)N1CCC2(C1)CCCCC2)c1ccccc1 Show InChI InChI=1S/C19H27NO/c1-18(2,16-9-5-3-6-10-16)17(21)20-14-13-19(15-20)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3	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	1.5	n/a	n/a	n/a	n/a	7.4	37
Merck-Serono					Assay Description 11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...				Bioorg Med Chem Lett 19: 3682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.123 BindingDB Entry DOI: 10.7270/Q2X065DQ
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455106 (CHEMBL4216095) Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CCCO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12| Show InChI InChI=1S/C31H38FN5O7/c1-20-16-27(36-44-20)31(42)34-25-6-4-2-3-5-15-43-24-13-14-37(18-24)28(39)12-11-23(19-38)33-30(41)26(35-29(25)40)17-21-7-9-22(32)10-8-21/h2,4,7-10,16,19,23-26H,3,5-6,11-15,17-18H2,1H3,(H,33,41)(H,34,42)(H,35,40)/b4-2+/t23-,24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455115 (CHEMBL4202932) Show SMILES Cc1cc(no1)C(=O)N[C@H]1CCCNC(=O)[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r| Show InChI InChI=1S/C29H35FN6O7/c1-17-13-24(35-43-17)29(42)33-22-3-2-11-31-26(39)19-10-12-36(15-19)25(38)9-8-21(16-37)32-28(41)23(34-27(22)40)14-18-4-6-20(30)7-5-18/h4-7,13,16,19,21-23H,2-3,8-12,14-15H2,1H3,(H,31,39)(H,32,41)(H,33,42)(H,34,40)/t19-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455107 (CHEMBL4212167) Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)C[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r| Show InChI InChI=1S/C28H33FN6O7/c1-16-11-22(34-42-16)27(40)33-23-14-30-24(37)13-20-3-2-10-35(20)25(38)9-8-19(15-36)31-26(39)21(32-28(23)41)12-17-4-6-18(29)7-5-17/h4-7,11,15,19-21,23H,2-3,8-10,12-14H2,1H3,(H,30,37)(H,31,39)(H,32,41)(H,33,40)/t19-,20+,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251413 (US9452990, 95) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H32FN7O3/c1-16(2)31-20(18-7-5-17(15-29)6-8-18)14-22(36)34-9-11-35(12-10-34)27-32-24-19(26(30)33-27)13-21(37-3)25(38-4)23(24)28/h5-8,13,16,20,31H,9-12,14H2,1-4H3,(H2,30,32,33)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455105 (CHEMBL4218384) Show SMILES Cc1cc(no1)C(=O)N[C@H]1C\C=C\CO[C@H]2CCN(C2)C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r,t:12| Show InChI InChI=1S/C29H34FN5O7/c1-18-14-25(34-42-18)29(40)32-23-4-2-3-13-41-22-11-12-35(16-22)26(37)10-9-21(17-36)31-28(39)24(33-27(23)38)15-19-5-7-20(30)8-6-19/h2-3,5-8,14,17,21-24H,4,9-13,15-16H2,1H3,(H,31,39)(H,32,40)(H,33,38)/b3-2+/t21-,22-,23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29834 (spiro-carboxamide scaffold, 7) Show SMILES Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2 Show InChI InChI=1S/C19H24FNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2	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	n/a	n/a	n/a	n/a	7.4	37
Merck-Serono					Assay Description 11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...				Bioorg Med Chem Lett 19: 3682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.123 BindingDB Entry DOI: 10.7270/Q2X065DQ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251449 (US9452990, 131) Show SMILES CCNC(=O)[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H30F2N6O4/c1-4-30-25(36)17(15-5-7-16(27)8-6-15)14-20(35)33-9-11-34(12-10-33)26-31-22-18(24(29)32-26)13-19(37-2)23(38-3)21(22)28/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,30,36)(H2,29,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251411 (US9452990, 93) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCC1CC1)c1ccsc1 |r| Show InChI InChI=1S/C25H31FN6O3S/c1-34-19-11-17-22(21(26)23(19)35-2)29-25(30-24(17)27)32-8-6-31(7-9-32)20(33)12-18(16-5-10-36-14-16)28-13-15-3-4-15/h5,10-11,14-15,18,28H,3-4,6-9,12-13H2,1-2H3,(H2,27,29,30)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251397 (US9452990, 77) Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H28FN7O3/c1-29-18(16-6-4-15(14-27)5-7-16)13-20(34)32-8-10-33(11-9-32)25-30-22-17(24(28)31-25)12-19(35-2)23(36-3)21(22)26/h4-7,12,18,29H,8-11,13H2,1-3H3,(H2,28,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390701 (CHEMBL2070229) Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C21H20ClN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390710 (CHEMBL2070319) Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C1(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O/c1-14-19(18-3-2-11-24-20(18)25-14)15-8-12-26(13-15)21(27)22(9-10-22)16-4-6-17(23)7-5-16/h2-7,11,15H,8-10,12-13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251348 (US9452990, 28) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251417 (US9452990, 99) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCCCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H34F2N6O3/c1-38-22-16-20-25(24(30)26(22)39-2)32-28(33-27(20)31)36-14-12-35(13-15-36)23(37)17-21(34-10-4-3-5-11-34)18-6-8-19(29)9-7-18/h6-9,16,21H,3-5,10-15,17H2,1-2H3,(H2,31,32,33)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251412 (US9452990, 94) Show SMILES COCCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H34F2N6O4/c1-37-14-4-9-31-20(17-5-7-18(28)8-6-17)16-22(36)34-10-12-35(13-11-34)27-32-24-19(26(30)33-27)15-21(38-2)25(39-3)23(24)29/h5-8,15,20,31H,4,9-14,16H2,1-3H3,(H2,30,32,33)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251330 (US9452990, 10) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)\C=C\c1ccc(cc1)C#N |r| Show InChI InChI=1S/C30H27FN6O3/c1-39-24-16-22-27(26(31)28(24)40-2)34-30(35-29(22)33)37-15-14-36(18-23(37)21-6-4-3-5-7-21)25(38)13-12-19-8-10-20(17-32)11-9-19/h3-13,16,23H,14-15,18H2,1-2H3,(H2,33,34,35)/b13-12+/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251451 (US9452990, 80) Show SMILES CN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H28F2N6O3/c1-28-17(14-4-6-15(25)7-5-14)13-19(33)31-8-10-32(11-9-31)24-29-21-16(23(27)30-24)12-18(34-2)22(35-3)20(21)26/h4-7,12,17,28H,8-11,13H2,1-3H3,(H2,27,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455114 (CHEMBL4207862) Show SMILES Cc1cc(no1)C(=O)N[C@H]1CNC(=O)[C@H]2CCCN2C(=O)CC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)C=O |r| Show InChI InChI=1S/C27H31FN6O7/c1-15-11-20(33-41-15)25(38)32-21-13-29-27(40)22-3-2-10-34(22)23(36)9-8-18(14-35)30-24(37)19(31-26(21)39)12-16-4-6-17(28)7-5-16/h4-7,11,14,18-19,21-22H,2-3,8-10,12-13H2,1H3,(H,29,40)(H,30,37)(H,31,39)(H,32,38)/t18-,19-,21-,22+/m0/s1	PDB UniProtKB/SwissProt 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251402 (US9452990, 84) Show SMILES CCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H30F2N6O3/c1-4-29-18(15-5-7-16(26)8-6-15)14-20(34)32-9-11-33(12-10-32)25-30-22-17(24(28)31-25)13-19(35-2)23(36-3)21(22)27/h5-8,13,18,29H,4,9-12,14H2,1-3H3,(H2,28,30,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Complement factor B (Homo sapiens (Human))	BDBM50540314 (CHEMBL4639592) Show SMILES CCO[C@H]1CCN(Cc2c(cc(C)c3[nH]ccc23)C2CC2)[C@@H](C1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C27H32N2O3/c1-3-32-21-11-13-29(25(15-21)19-6-8-20(9-7-19)27(30)31)16-24-22-10-12-28-26(22)17(2)14-23(24)18-4-5-18/h6-10,12,14,18,21,25,28H,3-5,11,13,15-16H2,1-2H3,(H,30,31)/t21-,25-/m0/s1	PDB UniProtKB/SwissProt 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human serine protease factor B by TR-FRET based competition binding assay				J Med Chem 63: 5697-5722 (2020) Article DOI: 10.1021/acs.jmedchem.9b01870 BindingDB Entry DOI: 10.7270/Q21N84P4
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM29833 (spiro-carboxamide scaffold, 6) Show SMILES Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2 Show InChI InChI=1S/C19H24ClNO/c20-16-6-4-15(5-7-16)19(10-11-19)17(22)21-13-12-18(14-21)8-2-1-3-9-18/h4-7H,1-3,8-14H2	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	6	n/a	n/a	n/a	n/a	7.4	37
Merck-Serono					Assay Description 11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was init...				Bioorg Med Chem Lett 19: 3682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.123 BindingDB Entry DOI: 10.7270/Q2X065DQ
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251345 (US9452990, 25) Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251416 (US9452990, 98) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](NCCF)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H29F3N6O3/c1-36-19-13-17-22(21(28)23(19)37-2)31-25(32-24(17)29)34-11-9-33(10-12-34)20(35)14-18(30-8-7-26)15-3-5-16(27)6-4-15/h3-6,13,18,30H,7-12,14H2,1-2H3,(H2,29,31,32)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251389 (US9452990, 69) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1c1ccccc1)C(=O)C[C@@H](N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H30F2N6O3/c1-39-23-14-20-26(25(31)27(23)40-2)34-29(35-28(20)33)37-13-12-36(16-22(37)18-6-4-3-5-7-18)24(38)15-21(32)17-8-10-19(30)11-9-17/h3-11,14,21-22H,12-13,15-16,32H2,1-2H3,(H2,33,34,35)/t21-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251384 (US9452990, 64) Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H30FN7O3/c1-4-17-14-33(21(35)12-19(29)16-7-5-15(13-28)6-8-16)9-10-34(17)26-31-23-18(25(30)32-26)11-20(36-2)24(37-3)22(23)27/h5-8,11,17,19H,4,9-10,12,14,29H2,1-3H3,(H2,30,31,32)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455112 (CHEMBL4215964) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CNC(C)=O)C=O |r| Show InChI InChI=1S/C28H36N4O6/c1-19(2)14-24(32-28(37)38-18-22-12-8-5-9-13-22)27(36)31-25(15-21-10-6-4-7-11-21)26(35)30-23(17-33)16-29-20(3)34/h4-13,17,19,23-25H,14-16,18H2,1-3H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t23?,24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390703 (CHEMBL2070231) Show SMILES Clc1ccc(cc1)C1(CCC1)C(=O)N1CCC(C1)c1c[nH]c2ncccc12 Show InChI InChI=1S/C22H22ClN3O/c23-17-6-4-16(5-7-17)22(9-2-10-22)21(27)26-12-8-15(14-26)19-13-25-20-18(19)3-1-11-24-20/h1,3-7,11,13,15H,2,8-10,12,14H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294764 (3,3-Dimethyl-pentanedioic acid cyclopropylamide(5-...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:14.14,wD:21.23,TLB:14:15:23:18.20.19,13:14:23.21.24:16,THB:20:21:16:18.19.14,20:19:23.21.24:16,14:19:23:24.15.16,(21.22,-10.83,;22.32,-9.75,;23.4,-10.83,;23.66,-8.98,;24.99,-9.76,;24.98,-11.3,;26.32,-9,;27.65,-9.77,;28.42,-11.11,;29.2,-9.78,;20.99,-8.97,;19.65,-9.74,;19.64,-11.28,;18.32,-8.96,;17.05,-9.83,;17.07,-11.34,;16.13,-12.42,;14.75,-11.86,;14.79,-10.45,;15.63,-9.28,;14.07,-9.75,;14.06,-11.26,;12.52,-11.25,;13.12,-12.5,;15.54,-11.85,)| Show InChI InChI=1S/C20H32N2O3/c1-19(2,10-16(23)21-15-3-4-15)11-17(24)22-18-13-5-12-6-14(18)9-20(25,7-12)8-13/h12-15,18,25H,3-11H2,1-2H3,(H,21,23)(H,22,24)/t12?,13?,14?,18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251410 (US9452990, 92) Show SMILES CCCN[C@H](CC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)c(F)c2n1)c1ccc(Cl)s1 |r| Show InChI InChI=1S/C24H30ClFN6O3S/c1-4-7-28-15(17-5-6-18(25)36-17)13-19(33)31-8-10-32(11-9-31)24-29-21-14(23(27)30-24)12-16(34-2)22(35-3)20(21)26/h5-6,12,15,28H,4,7-11,13H2,1-3H3,(H2,27,29,30)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294781 (CHEMBL552159 | N-Adamantan-2-yl-4-(3-isopropyl-[1,...) Show SMILES CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)| Show InChI InChI=1S/C21H33N3O2/c1-12(2)20-23-18(26-24-20)11-21(3,4)10-17(25)22-19-15-6-13-5-14(8-15)9-16(19)7-13/h12-16,19H,5-11H2,1-4H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus 14)	BDBM50455113 (CHEMBL4212963) Show SMILES CN1Cc2cccc(c2)[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCC1=O)C=O |r| Show InChI InChI=1S/C29H30FN5O6/c1-17-12-24(34-41-17)28(39)33-26-20-5-3-4-19(13-20)15-35(2)25(37)11-10-22(16-36)31-27(38)23(32-29(26)40)14-18-6-8-21(30)9-7-18/h3-9,12-13,16,22-23,26H,10-11,14-15H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)/t22-,23-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substra...				Bioorg Med Chem Lett 28: 906-909 (2018) Article DOI: 10.1016/j.bmcl.2018.01.064 BindingDB Entry DOI: 10.7270/Q2TF00Z3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294767 (CHEMBL562113 | N-Adamantan-2-yl-2-{1-[(2-methoxy-p...) Show SMILES COc1ccccc1NC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:17:18:21:24.25.26,17:25:21:19.23.18,16:17:21.22.24:26,(6.77,1.1,;5.44,.32,;5.45,-1.22,;6.78,-1.98,;6.79,-3.53,;5.45,-4.3,;4.12,-3.53,;4.12,-1.98,;2.79,-1.22,;1.46,-1.99,;1.46,-3.53,;.12,-1.22,;-1.21,-2,;-2.55,-1.23,;-3.88,-2,;-3.88,-3.54,;-5.22,-1.24,;-6.5,-2.09,;-6.51,-3.62,;-7.9,-3.97,;-9.23,-3.48,;-10.43,-4.76,;-8.93,-4.34,;-7.52,-4.9,;-8.93,-2.75,;-7.89,-1.52,;-9.24,-1.99,;-2.45,-2.91,;-1.96,-4.37,;-.42,-4.36,;.04,-2.89,)| Show InChI InChI=1S/C26H36N2O3/c1-31-22-7-3-2-6-21(22)27-23(29)15-26(8-4-5-9-26)16-24(30)28-25-19-11-17-10-18(13-19)14-20(25)12-17/h2-3,6-7,17-20,25H,4-5,8-16H2,1H3,(H,27,29)(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251378 (US9452990, 58) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(C[C@@H]1C)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H28FN7O3/c1-14-13-32(20(34)11-18(28)16-6-4-15(12-27)5-7-16)8-9-33(14)25-30-22-17(24(29)31-25)10-19(35-2)23(36-3)21(22)26/h4-7,10,14,18H,8-9,11,13,28H2,1-3H3,(H2,29,30,31)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294771 (CHEMBL549419 | N-Adamantan-2-yl-2-[1-(isobutylcarb...) Show SMILES CC(C)CNC(=O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:13:14:17:20.21.22,13:21:17:15.19.14,12:13:17.18.20:22,(8.27,-20.54,;6.93,-19.77,;6.93,-18.23,;5.6,-20.54,;4.27,-19.78,;2.93,-20.55,;2.94,-22.09,;1.6,-19.78,;.27,-20.55,;-1.07,-19.79,;-2.4,-20.56,;-2.4,-22.1,;-3.74,-19.8,;-5.02,-20.65,;-5.03,-22.18,;-6.43,-22.53,;-7.75,-22.04,;-8.95,-23.32,;-7.45,-22.9,;-6.04,-23.46,;-7.45,-21.31,;-6.42,-20.08,;-7.76,-20.55,;-.97,-21.47,;-.48,-22.93,;1.06,-22.92,;1.52,-21.45,)| Show InChI InChI=1S/C23H38N2O2/c1-15(2)14-24-20(26)12-23(5-3-4-6-23)13-21(27)25-22-18-8-16-7-17(10-18)11-19(22)9-16/h15-19,22H,3-14H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390702 (CHEMBL2070230) Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50294783 (3,3-Dimethyl-pentanedioic acid(5-carbamoyl-adamant...) Show SMILES CC(C)(CC(=O)NC1CC1)CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:14.14,wD:21.27,TLB:14:15:22:18.20.19,13:14:22.21.23:16,THB:20:21:16:18.19.14,20:19:22.21.23:16,14:19:22:23.15.16,(.29,-11.13,;1.39,-10.04,;2.47,-11.13,;2.73,-9.28,;4.06,-10.06,;4.05,-11.6,;5.39,-9.29,;6.72,-10.07,;7.49,-11.4,;8.27,-10.07,;.06,-9.27,;-1.28,-10.03,;-1.29,-11.57,;-2.61,-9.25,;-3.88,-10.13,;-3.86,-11.64,;-4.8,-12.71,;-6.18,-12.15,;-6.14,-10.74,;-5.3,-9.57,;-6.86,-10.04,;-6.87,-11.55,;-7.81,-12.79,;-5.39,-12.15,;-8.41,-11.54,;-9.19,-12.87,;-9.17,-10.2,)| Show InChI InChI=1S/C21H33N3O3/c1-20(2,10-16(25)23-15-3-4-15)11-17(26)24-18-13-5-12-6-14(18)9-21(7-12,8-13)19(22)27/h12-15,18H,3-11H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)/t12?,13?,14?,18-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in mouse liver microsome				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251448 (US9452990, 130) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](C(N)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H26F2N6O4/c1-35-17-11-16-20(19(26)21(17)36-2)29-24(30-22(16)27)32-9-7-31(8-10-32)18(33)12-15(23(28)34)13-3-5-14(25)6-4-13/h3-6,11,15H,7-10,12H2,1-2H3,(H2,28,34)(H2,27,29,30)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251414 (US9452990, 96) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N1CCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H30F2N6O3/c1-36-20-14-18-23(22(28)24(20)37-2)30-26(31-25(18)29)34-12-10-33(11-13-34)21(35)15-19(32-8-3-9-32)16-4-6-17(27)7-5-16/h4-7,14,19H,3,8-13,15H2,1-2H3,(H2,29,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251387 (US9452990, 67) Show SMILES CCC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H32FN7O3/c1-4-5-18-15-34(22(36)13-20(30)17-8-6-16(14-29)7-9-17)10-11-35(18)27-32-24-19(26(31)33-27)12-21(37-2)25(38-3)23(24)28/h6-9,12,18,20H,4-5,10-11,13,15,30H2,1-3H3,(H2,31,32,33)/t18-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251364 (US9452990, 44) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1CCN(CC1)C(=O)C[C@@H](N)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H26FN7O3/c1-34-18-11-16-21(20(25)22(18)35-2)29-24(30-23(16)28)32-9-7-31(8-10-32)19(33)12-17(27)15-5-3-14(13-26)4-6-15/h3-6,11,17H,7-10,12,27H2,1-2H3,(H2,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251415 (US9452990, 97) Show SMILES COc1cc2c(N)nc(nc2c(F)c1OC)N1[C@@H](C)CN(C[C@H]1C)C(=O)C[C@@H](NC(C)C)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C29H36FN7O3/c1-16(2)33-22(20-9-7-19(13-31)8-10-20)12-24(38)36-14-17(3)37(18(4)15-36)29-34-26-21(28(32)35-29)11-23(39-5)27(40-6)25(26)30/h7-11,16-18,22,33H,12,14-15H2,1-6H3,(H2,32,34,35)/t17-,18+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251328 (US9452990, 8) Show SMILES CC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)\C=C\c1ccc(cc1)C#N |r| Show InChI InChI=1S/C26H27FN6O3/c1-4-18-15-32(21(34)10-9-16-5-7-17(14-28)8-6-16)11-12-33(18)26-30-23-19(25(29)31-26)13-20(35-2)24(36-3)22(23)27/h5-10,13,18H,4,11-12,15H2,1-3H3,(H2,29,30,31)/b10-9+/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
Cobra venom factor/Complement factor B/Complement factor D (Naja kaouthia (Monocled cobra) (Naja siamensis)-Ho...)	BDBM251346 (US9452990, 26) Show SMILES CCC[C@H]1CN(CCN1c1nc(N)c2cc(OC)c(OC)c(F)c2n1)C(=O)c1cc2cc(ccc2[nH]1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description CVF-Bb complex prepared from purified cobra venom factor (1 μM), recombinant human complement factor B (expressed in drosophila cells and purifi...				US Patent US9452990 (2016) BindingDB Entry DOI: 10.7270/Q2H130Z9
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390709 (CHEMBL2070318) Show SMILES Cc1[nH]c2ncccc2c1C1CCN(C1)C(=O)C(C)(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN3O/c1-14-19(18-5-4-11-24-20(18)25-14)15-10-12-26(13-15)21(27)22(2,3)16-6-8-17(23)9-7-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50294780 (CHEMBL560849 | N-Adamantan-2-yl-4-(3-cyclopropyl-[...) Show SMILES CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(no1)C1CC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:7:8:11:14.15.16,7:15:11:9.13.8,6:7:11.12.14:16,(19.12,3.89,;20.22,4.97,;21.3,3.89,;18.88,5.74,;17.55,4.96,;17.55,3.42,;16.21,5.73,;14.93,4.88,;14.92,3.35,;13.52,3,;12.2,3.49,;11,2.21,;12.5,2.63,;13.91,2.07,;12.5,4.22,;13.54,5.45,;12.19,4.98,;21.55,5.75,;22.88,4.98,;24.26,5.69,;25.35,4.61,;24.67,3.24,;23.14,3.46,;26.89,4.61,;28.22,3.83,;28.22,5.37,)| Show InChI InChI=1S/C21H31N3O2/c1-21(2,11-18-23-20(24-26-18)14-3-4-14)10-17(25)22-19-15-6-12-5-13(8-15)9-16(19)7-12/h12-16,19H,3-11H2,1-2H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 19: 2674-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.140 BindingDB Entry DOI: 10.7270/Q2JQ112H
					More data for this Ligand-Target Pair

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