Reaction Details Report a problem with these data
Target
Chromatin remodeling regulator CECR2
Ligand
BDBM50269699
Substrate
n/a
Meas. Tech.
ChEMBL_1707032 (CHEMBL4058265)
IC50
130±n/a nM
Citation
 Crawford, TD; Audia, JE; Bellon, S; Burdick, DJ; Bommi-Reddy, A; Côté, A; Cummings, RT; Duplessis, M; Flynn, EM; Hewitt, M; Huang, HR; Jayaram, H; Jiang, Y; Joshi, S; Kiefer, JR; Murray, J; Nasveschuk, CG; Neiss, A; Pardo, E; Romero, FA; Sandy, P; Sims, RJ; Tang, Y; Taylor, AM; Tsui, V; Wang, J; Wang, S; Wang, Y; Xu, Z; Zawadzke, L; Zhu, X; Albrecht, BK; Magnuson, SR; Cochran, AG GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett 8:737-741 (2017) [PubMed]  Article 
Target
Name:
Chromatin remodeling regulator CECR2
Synonyms:
CECR2 | CECR2_HUMAN | Cat eye syndrome critical region protein 2 | KIAA1740
Type:
PROTEIN
Mol. Mass.:
164223.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107999
Residue:
1484
Sequence:
MCPEEGGAAGLGELRSWWEVPAIAHFCSLFRTAFRLPDFEIEELEAALHRDDVEFISDLIACLLQGCYQRRDITPQTFHSYLEDIINYRWELEEGKPNPLREASFQDLPLRTRVEILHRLCDYRLDADDVFDLLKGLDADSLRVEPLGEDNSGALYWYFYGTRMYKEDPVQGKSNGELSLSRESEGQKNVSSIPGKTGKRRGRPPKRKKLQEEILLSEKQEENSLASEPQTRHGSQGPGQGTWWLLCQTEEEWRQVTESFRERTSLRERQLYKLLSEDFLPEICNMIAQKGKRPQRTKAELHPRWMSDHLSIKPVKQEETPVLTRIEKQKRKEEEEERQILLAVQKKEQEQMLKEERKRELEEKVKAVEGMCSVRVVWRGACLSTSRPVDRAKRRKLREERAWLLAQGKELPPELSHLDPNSPMREEKKTKDLFELDDDFTAMYKVLDVVKAHKDSWPFLEPVDESYAPNYYQIIKAPMDISSMEKKLNGGLYCTKEEFVNDMKTMFRNCRKYNGESSEYTKMSDNLERCFHRAMMKHFPGEDGDTDEEFWIREDEKREKRRSRAGRSGGSHVWTRSRDPEGSSRKQQPMENGGKSLPPTRRAPSSGDDQSSSSTQPPREVGTSNGRGFSHPLHCGGTPSQAPFLNQMRPAVPGTFGPLRGSDPATLYGSSGVPEPHPGEPVQQRQPFTMQPPVGINSLRGPRLGTPEEKQMCGGLTHLSNMGPHPGSLQLGQISGPSQDGSMYAPAQFQPGFIPPRHGGAPARPPDFPESSEIPPSHMYRSYKYLNRVHSAVWNGNHGATNQGPLGPDEKPHLGPGPSHQPRTLGHVMDSRVMRPPVPPNQWTEQSGFLPHGVPSSGYMRPPCKSAGHRLQPPPVPAPSSLFGAPAQALRGVQGGDSMMDSPEMIAMQQLSSRVCPPGVPYHPHQPAHPRLPGPFPQVAHPMSVTVSAPKPALGNPGRAPENSEAQEPENDQAEPLPGLEEKPPGVGTSEGVYLTQLPHPTPPLQTDCTRQSSPQERETVGPELKSSSSESADNCKAMKGKNPWPSDSSYPGPAAQGCVRDLSTVADRGALSENGVIGEASPCGSEGKGLGSSGSEKLLCPRGRTLQETMPCTGQNAATPPSTDPGLTGGTVSQFPPLYMPGLEYPNSAAHYHISPGLQGVGPVMGGKSPASHPQHFPPRGFQSNHPHSGGFPRYRPPQGMRYSYHPPPQPSYHHYQRTPYYACPQSFSDWQRPLHPQGSPSGPPASQPPPPRSLFSDKNAMASLQGCETLNAALTSPTRMDAVAAKVPNDGQNPGPEEEKLDESMERPESPKEFLDLDNHNAATKRQSSLSASEYLYGTPPPLSSGMGFGSSAFPPHSVMLQTGPPYTPQRPASHFQPRAYSSPVAALPPHHPGATQPNGLSQEGPIYRCQEEGLGHFQAVMMEQIGTRSGIRGPFQEMYRPSGMQMHPVQSQASFPKTPTAATSQEEVPPHKPPTLPLDQS
  
Inhibitor
Name:
BDBM50269699
Synonyms:
CHEMBL4076381
Type:
Small organic molecule
Emp. Form.:
C22H26N6O3
Mol. Mass.:
422.4802
SMILES:
COc1cc(ncn1)N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Structure:
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