BDBM50200469 CHEMBL3946551

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)c1ccc(cc1C1c2ccc(O)cc2Oc2cc(O)ccc12)N=C=S)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=CZWGZUGJDHOPGX-BMMHLTIKSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50200469   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50200469 (CHEMBL3946551) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)c1ccc(cc1C1c2ccc(O)cc2Oc2cc(O)ccc12)N=C=S)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C58H63N9O22S/c1-28(68)51(57(86)60-26-45(72)62-37(13-16-46(73)74)53(82)66-41(58(87)88)21-29-5-3-2-4-6-29)67-55(84)39(15-18-48(77)78)64-54(83)38(14-17-47(75)76)65-56(85)40(25-49(79)80)63-44(71)19-20-59-52(81)33-10-7-30(61-27-90)22-36(33)50-34-11-8-31(69)23-42(34)89-43-24-32(70)9-12-35(43)50/h2-12,22-24,28,37-41,50-51,68-70H,13-21,25-26H2,1H3,(H,59,81)(H,60,86)(H,62,72)(H,63,71)(H,64,83)(H,65,85)(H,66,82)(H,67,84)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,87,88)/t28-,37+,38+,39+,40+,41+,51+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to His-tagged Keap1 (unknown origin) Kelch domain expressed in Escherichia coli BL21(DE3) pLysS by ITC assay				J Med Chem 59: 10837-10858 (2016) Article DOI: 10.1021/acs.jmedchem.6b00586 BindingDB Entry DOI: 10.7270/Q2377BPQ
					More data for this Ligand-Target Pair