CHEMBL1159714 Ko 707 BDBM50421719
3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester BDBM50305083 3-((3S,6S,12aS)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester Ko143 Ko-143 US9695174, Ko143 CHEMBL488910
- Cameron, KO; Beretta, EE; Chen, Y; Chu-Moyer, M; Fernando, D; Gao, H; Kohrt, J; Lavergne, S; Jardine, Pda S; Guzman-Perez, A; Hoth, C; Perry, DA; Hadcock, JR; Gautreau, D; Makowski, M; Perez, S; Polivkova, J; Rogers, L; Scott, DO; Swick, AG; Thiede, L; Trebino, CE; Trilles, RV; Wilmowski, J; Zhang, Y Bioorg Med Chem Lett 22: 2943-7 (2012)
- Rathnayake, AD; Zheng, J; Kim, Y; Perera, KD; Mackin, S; Meyerholz, DK; Kashipathy, MM; Battaile, KP; Lovell, S; Perlman, S; Groutas, WC; Chang, KO Sci Transl Med 12: (2020)
- Clausen, JD; Kjellerup, L; Cohrt, KO; Hansen, JB; Dalby-Brown, W; Winther, AL Bioorg Med Chem Lett 27: 4564-4570 (2017)
- Wang, F; Jeon, KO; Salovich, JM; Macdonald, JD; Alvarado, J; Gogliotti, RD; Phan, J; Olejniczak, ET; Sun, Q; Wang, S; Camper, D; Yuh, JP; Shaw, JG; Sai, J; Rossanese, OW; Tansey, WP; Stauffer, SR; Fesik, SW J Med Chem 61: 5623-5642 (2018)
- Kallander, LS; Lu, Q; Chen, W; Tomaszek, T; Yang, G; Tew, D; Meek, TD; Hofmann, GA; Schulz-Pritchard, CK; Smith, WW; Janson, CA; Ryan, MD; Zhang, GF; Johanson, KO; Kirkpatrick, RB; Ho, TF; Fisher, PW; Mattern, MR; Johnson, RK; Hansbury, MJ; Winkler, JD; Ward, KW; Veber, DF; Thompson, SK J Med Chem 48: 5644-7 (2005)
- Zankel, TC; Isbell, SL; Ko, AA US Patent US10308607 (2019)
- Ko B
- Li, Z; Liao, C; Ko, BC; Shan, S; Tong, EH; Yin, Z; Pan, D; Wong, VK; Shi, L; Ning, ZQ; Hu, W; Zhou, J; Chung, SS; Lu, XP Bioorg Med Chem Lett 14: 3507-11 (2004)
- Ko, CC; Chen, YJ; Chen, CT; Liu, YC; Cheng, FC; Hsu, KC; Chow, LP J Biol Chem 289: 22078-89 (2014)
- Chen, CH; Lee, O; Yao, CN; Chuang, MY; Chang, YL; Chang, MH; Wen, YF; Yang, WH; Ko, CH; Chou, NT; Lin, MW; Lai, CP; Sun, CY; Wang, LM; Chen, YC; Hseu, TH; Chang, CN; Hsu, HC; Lin, HC; Chang, YL; Shih, YC; Chou, SH; Hsu, YL; Tseng, HW; Liu, CP; Tu, CM; Hu, TL; Tsai, YJ; Chen, TS; Lin, CL; Chiou, SJ; Liu, CC; Hwang, CS Bioorg Med Chem Lett 20: 6129-32 (2010)
- Ratni, H; Ebeling, M; Baird, J; Bendels, S; Bylund, J; Chen, KS; Denk, N; Feng, Z; Green, L; Guerard, M; Jablonski, P; Jacobsen, B; Khwaja, O; Kletzl, H; Ko, CP; Kustermann, S; Marquet, A; Metzger, F; Mueller, B; Naryshkin, NA; Paushkin, SV; Pinard, E; Poirier, A; Reutlinger, M; Weetall, M; Zeller, A; Zhao, X; Mueller, L J Med Chem 61: 6501-6517 (2018)
- Kim, M; Kim, G; Kang, M; Ko, D; Nam, Y; Moon, CS; Kang, HM; Shin, JS; Werz, O; Lee, KT; Lee, JY Bioorg Med Chem Lett 41: (2021)
- Choi, HG; Ko, E; Cho, J; Son, JB; Ko, YK; Park, J; Kim, SY; Kang, SY; Lee, S; Ryu, HY; Kim, ND; Kim, SB; Lee, S; Kim, D; Lee, SJ; Cho, S; Lee, K; Yu, K; Choi, M; Koo, JW; Hoe, H US Patent US11117892 (2021)
- Thomas, M; Brand, S; De Rycker, M; Zuccotto, F; Lukac, I; Dodd, PG; Ko, EJ; Manthri, S; McGonagle, K; Osuna-Cabello, M; Riley, J; Pont, C; Simeons, F; Stojanovski, L; Thomas, J; Thompson, S; Viayna, E; Fiandor, JM; Martin, J; Wyatt, PG; Miles, TJ; Read, KD; Marco, M; Gilbert, IH J Med Chem 64: 5905-5930 (2021)
- Cheng, MC; Li, CY; Ko, HC; Ko, FN; Lin, YL; Wu, TS J Nat Prod 69: 1305-9 (2006)
- Hillmann, P; Ko, GY; Spinrath, A; Raulf, A; von Kügelgen, I; Wolff, SC; Nicholas, RA; Kostenis, E; Höltje, HD; Müller, CE J Med Chem 52: 2762-75 (2009)
- Cosyn, L; Van Calenbergh, S; Joshi, BV; Ko, H; Carter, RL; Kendall Harden, T; Jacobson, KA Bioorg Med Chem Lett 19: 3002-5 (2009)
- Cheng, MC; Li, CY; Ko, HC; Ko, FN; Lin, YL; Wu, TS J Nat Prod 69: 1305-9 (2006)
- Ko, HH; Chang, WL; Lu, TM J Nat Prod 71: 1930-1933 (2008)
- Choi, H; Park, HJ; Shin, JC; Ko, HS; Lee, JK; Lee, S; Park, H; Hong, S Bioorg Med Chem Lett 22: 2195-9 (2012)
- Ko HY
- Ko, J; Hwang, H; Chin, J; Hahn, D; Lee, J; Yang, I; Shin, K; Ham, J; Kang, H Bioorg Med Chem Lett 20: 6017-9 (2010)
- Ko, JH; Yeon, SW; Ryu, JS; Kim, TY; Song, EH; You, HJ; Park, RE; Ryu, CK Bioorg Med Chem Lett 16: 6001-5 (2006)
- Nishii, H; Chiba, T; Morikami, K; Fukami, TA; Sakamoto, H; Ko, K; Koyano, H Bioorg Med Chem Lett 20: 1405-9 (2010)
- Lee, W; Ko, KR; Kim, HK; Lee, DS; Nam, IJ; Lim, S; Kim, S J Nat Prod 81: 1343-1356 (2018)
- Ko, KS; Steffey, ME; Brandvold, KR; Soellner, MB ACS Med Chem Lett 4: 779-783 (2013)
- Yang, HY; Tae, J; Seo, YW; Kim, YJ; Im, HY; Choi, GD; Cho, H; Park, WK; Kwon, OS; Cho, YS; Ko, M; Jang, H; Lee, J; Choi, K; Kim, CH; Lee, J; Pae, AN Eur J Med Chem 63: 558-69 (2013)
- Kim, Y; Kim, J; Kim, S; Ki, Y; Seo, SH; Tae, J; Ko, MK; Jang, HS; Lim, EJ; Song, C; Cho, Y; Koh, HY; Chong, Y; Choo, IH; Keum, G; Min, SJ; Choo, H Eur J Med Chem 85: 629-37 (2014)
- Jackson, JJ; Shibuya, GM; Ravishankar, B; Adusumilli, L; Bradford, D; Brockstedt, DG; Bucher, C; Bui, M; Cho, C; Colas, C; Cutler, G; Dukes, A; Han, X; Hu, DX; Jacobson, S; Kassner, PD; Katibah, GE; Ko, MYM; Kolhatkar, U; Leger, PR; Ma, A; Marshall, L; Maung, J; Ng, AA; Okano, A; Pookot, D; Poon, D; Ramana, C; Reilly, MK; Robles, O; Schwarz, JB; Shakhmin, AA; Shunatona, HP; Sreenivasan, R; Tivitmahaisoon, P; Xu, M; Zaw, T; Wustrow, DJ; Zibinsky, M J Med Chem 65: 12895-12924 (2022)
- Ko, S; Lee, MK; Shin, D; Park, H Bioorg Med Chem 17: 7769-74 (2009)
- Lim, CJ; Woo, SE; Ko, SI; Lee, BH; Oh, KS; Yi, KY Bioorg Med Chem Lett 26: 4684-4686 (2016)
- Son, S; Ko, SK; Jang, M; Lee, JK; Kwon, MC; Kang, DH; Ryoo, IJ; Lee, JS; Hong, YS; Kim, BY; Jang, JH; Ahn, JS J Nat Prod 80: 1378-1386 (2017)
- Dhar, TG; Xiao, H; Watterson, SH; Ko, SS; Dyckman, AJ; Langevine, CM; Das, J; Cherney, RJ US Patent US9216972 (2015)
- Walpole, C; Ko, SY; Brown, M; Beattie, D; Campbell, E; Dickenson, F; Ewan, S; Hughes, GA; Lemaire, M; Lerpiniere, J; Patel, S; Urban, L J Med Chem 41: 3159-73 (1998)
- Guo, RT; Cao, R; Liang, PH; Ko, TP; Chang, TH; Hudock, MP; Jeng, WY; Chen, CK; Zhang, Y; Song, Y; Kuo, CJ; Yin, F; Oldfield, E; Wang, AH Proc Natl Acad Sci U S A 104: 10022-7 (2007)
- Quang, TH; Ngan, NT; Ko, W; Kim, DC; Yoon, CS; Sohn, JH; Yim, JH; Kim, YC; Oh, H Bioorg Med Chem Lett 24: 5787-91 (2014)
- Ryu, CK; Kang, HY; Lee, SK; Nam, KA; Hong, CY; Ko, WG; Lee, BH Bioorg Med Chem Lett 10: 461-4 (2000)
- Kim, J; Lee, D; Park, C; So, W; Jo, M; Ok, T; Kwon, J; Kong, S; Jo, S; Kim, Y; Choi, J; Kim, HC; Ko, Y; Choi, I; Park, Y; Yoon, J; Ju, MK; Kim, J; Han, SJ; Kim, TH; Cechetto, J; Nam, J; Sommer, P; Liuzzi, M; Lee, J; No, Z ACS Med Chem Lett 3: 678-682 (2012)
- Jeon, WS; Moon, K; Park, SH; Chun, H; Ko, YH; Lee, JY; Lee, ES; Samal, S; Selvapalam, N; Rekharsky, MV; Sindelar, V; Sobransingh, D; Inoue, Y; Kaifer, AE; Kim, K J Am Chem Soc 127: 12984-9 (2005)
- Choi, HG; Ko, E; Cho, J; Son, JB; Ko, YK; Park, J; Kim, SY; Kang, SY; Lee, S; Ryu, HY; Kim, ND; Kim, SB; Lee, S; Kim, D; Lee, SJ; Cho, S; Lee, K; Yu, K; Choi, M; Koo, JW; Hoe, H US Patent US11117892 (2021)
- Humblet, V; Misra, P; Bhushan, KR; Nasr, K; Ko, YS; Tsukamoto, T; Pannier, N; Frangioni, JV; Maison, W J Med Chem 52: 544-50 (2009)
- Suh, YG; Lee, YS; Min, KH; Park, OH; Kim, JK; Seung, HS; Seo, SY; Lee, BY; Nam, YH; Lee, KO; Kim, HD; Park, HG; Lee, J; Oh, U; Lim, JO; Kang, SU; Kil, MJ; Koo, JY; Shin, SS; Joo, YH; Kim, JK; Jeong, YS; Kim, SY; Park, YH J Med Chem 48: 5823-36 (2005)
- Raddatz, P; Jonczyk, A; Minck, KO; Rippmann, F; Schittenhelm, C; Schmitges, CJ J Med Chem 35: 3525-36 (1992)
- Shaaban, MA; Elshaier, YAMM; Hammad, AH; Farag, NA; Hassan Haredy, H; AbdEl-Ghany, AA; Mohamed, KO Bioorg Med Chem Lett 30: (2020)
- Mohammed, KO; Nissan, YM Chem Biol Drug Des 84: 473-88 (2014)
- Bugge, S; Moen, IU; Sylte, KO; Sundby, E; Hoff, BH Eur J Med Chem 94: 175-94 (2015)
- Narayanan, D; Tran, KT; Pallesen, JS; Solbak, SMØ; Qin, Y; Mukminova, E; Luchini, M; Vasilyeva, KO; González Chichón, D; Goutsiou, G; Poulsen, C; Haapanen, N; Popowicz, GM; Sattler, M; Olagnier, D; Gajhede, M; Bach, A J Med Chem 65: 14481-14526 (2022)
- Yerdelen, KO; Koca, M; Anil, B; Sevindik, H; Kasap, Z; Halici, Z; Turkaydin, K; Gunesacar, G Bioorg Med Chem Lett 25: 5576-82 (2015)
- Pontius, A; Krick, A; Mesry, R; Kehraus, S; Foegen, SE; Mu¨ller, M; Klimo, K; Gerha¨user, C; Ko¨nig, GM J Nat Prod 71: 1793-1799 (2008)
- Mattei, P; Boehringer, M; Di Giorgio, P; Fischer, H; Hennig, M; Huwyler, J; Koçer, B; Kuhn, B; Loeffler, BM; Macdonald, A; Narquizian, R; Rauber, E; Sebokova, E; Sprecher, U Bioorg Med Chem Lett 20: 1109-13 (2010)
- Bosnar, M; Kragol, G; Koštrun, S; Vujasinovic, I; Bošnjak, B; Bencetic Mihaljevic, V; Marušic Ištuk, Z; Kapic, S; Hrvacic, B; Brajša, K; Tavcar, B; Jelic, D; Glojnaric, I; Verbanac, D; Culic, O; Padovan, J; Alihodžic, S; Erakovic Haber, V; Spaventi, R J Med Chem 55: 6111-23 (2012)
- Schwardt, O; Rabbani, S; Hartmann, M; Abgottspon, D; Wittwer, M; Kleeb, S; Zalewski, A; Smieško, M; Cutting, B; Ernst, B Bioorg Med Chem 19: 6454-73 (2011)
- ZakoSek, M; Mihevc, SP; Majdic, G; Ko{hacek over (s)}ak, U; Gobec, S US Patent US20230331674 (2023)
- ChEMBL_2355741 Inhibition of human DUOX1 transfected in HEK cells assessed as PMA-induced hydrogen peroxide production preincubated for 15 mins and measured after 10 mins by Amplex-red based fluorescence assay
- ChEMBL_2476844 Inhibition of tetracycline-inducible FLAG-tagged human PARL stably transfected in HEK293T harboring FITR/PARL KO
- ChEMBL_480051 (CHEMBL927990) Inhibition of mouse PKCtheta in KO cells assessed as blockade of anti CD28-stimulated IL2 production
- ChEMBL_2154863 (CHEMBL5039523) Agonist activity at STING KO human THP-1 dual cells incubated for 20 hrs by luciferase reporter gene assay
- ChEMBL_2322358 Agonist activity at STING in human STHP1-Dual KO-STING cells incubated for 20 hrs by Quanti-luc reagent based assay
- ChEMBL_2354137 Agonist activity at STING in PMA-differentiated human THP1-Dual KO-STING cells incubated for 24 hrs by QUANTI-Blue assay
- ChEMBL_2473762 Inhibition of PRMT5 in human HCT-116 cells with MTAP KO assessed as decrease in SMDA level incubated for 48 hrs by immunofluorescence analysis
- ChEMBL_2160781 (CHEMBL5045531) Agonist activity at STING in human THP1 Dual KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
- ChEMBL_2160782 (CHEMBL5045532) Agonist activity at STING in mouse RAW-Lucia ISG-KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
- ChEMBL_2160784 (CHEMBL5045534) Agonist activity at STING in human THP1-Dual KO-STING cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
- Determination of the value of binding affinity constant (KO between the compound and BRD4 BD2 protein The purity of BRD4 BD2 protein used in the experiment was greater than 95%, and the protein concentration was 46.33 uM. The 96-well plate was purchased from Corning (black, #3694). The multifunctional microplate reader was a product of TECAN, model: SPARK 10M. Buffer: 100 mM potassium phosphate (pH 6.5), 2% ethylene glycol (Sigma) and 0.01% Trition X-100 (Sigma). The experimental water was Millipore-Q pure water.The Ki value of the compound and BRD4 BD2 protein was measured according to the FP test procedures for detecting the Ki value of the compound and BRD4 BD1 protein except that the BRD4 BD1 protein was replaced with the BRD4 BD2 protein.
- Determination of the value of binding affinity constant (KO between the compound and BRD4 BD1 protein The purity of BRD4 BD1 protein used in the experiment was greater than 95%, and the protein concentration was 43.4 uM. The 96-well plate was purchased from Corning (black, #3694). The multifunctional microplate reader was a product of TECAN, model: SPARK 10M. Buffer: 100 mM potassium phosphate (pH 6.5), 2% ethylene glycol (Sigma) and 0.01% Trition X-100 (Sigma). The experimental water was Millipore-Q pure water.The specific experimental steps were as follows.First, the compound to be tested was dissolved in ethylene glycol to prepare into a 10 mM standard stock solution. Subsequently, the standard stock solution of the compound to be tested was diluted into a working sample solution with the buffer in an EP tube and ready for use. The concentration of the prepared working sample solution was 5 times of the highest sample concentration required on the test plate (5×test compound solution).40 λL of a 5× test compound solution of a sample A was added to wells B1-B3 of a 96-well plate, and 40 μL of a 5× test compound solution of a sample B was added to wells B7-B9 of the 96-well plate, respectively. 20 uL of the buffer was added to the remaining wells, except for wells B1-B3 and B7-B9. Then, 20 uL of a solution was taken from wells B1-B3 to C1-C3, and this 2-fold dilution was repeated from C1-C3 until H4-H6; in the same way, 20 uL of a solution was taken from B7-B9 to C7-C9, this 2-fold dilution was repeated from C7-C9 until H10-H12. Finally, 80 uL of a mixed solution containing 2.5 nM Tracer and 37.5 nM BRD4 BD1 protein was added to each well.