BDBM50538243 CHEMBL4637447

SMILES: [H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](C)C(N)=O

InChI Key: InChIKey=GLCYYPGLWQMRAV-GDUNTXNNSA-N

Data: 1 KI

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 = 50538243   

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
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50538243 (CHEMBL4637447) Show SMILES [H][C@@]12CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C75H106N20O21S3/c1-40(77)64(105)88-54-35-118-26-20-60(100)92-37-91-38-93(39-92)61(101)21-27-119-36-55(90-72(113)56-13-8-23-94(56)74(115)48(84-70(54)111)12-6-7-22-76)71(112)85-50(30-62(102)103)66(107)80-32-58(98)83-49(28-43-15-17-45(97)18-16-43)67(108)87-52(33-96)68(109)82-42(3)65(106)86-51(29-44-31-79-47-11-5-4-10-46(44)47)75(116)95-24-9-14-57(95)73(114)89-53(34-117-25-19-59(91)99)69(110)81-41(2)63(78)104/h4-5,10-11,15-18,31,40-42,48-57,79,96-97H,6-9,12-14,19-30,32-39,76-77H2,1-3H3,(H2,78,104)(H,80,107)(H,81,110)(H,82,109)(H,83,98)(H,84,111)(H,85,112)(H,86,106)(H,87,108)(H,88,105)(H,89,114)(H,90,113)(H,102,103)/t40-,41-,42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BicycleTx Limited Curated by ChEMBL					Assay Description Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluo...				J Med Chem 63: 4107-4116 (2020)
					More data for this Ligand-Target Pair