BDBM50015500 CHEMBL3265046

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O

InChI Key: InChIKey=PWTRAIAVXRQYHQ-QDNSEPHBSA-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 = 50015500   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50015500 (CHEMBL3265046) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C75H108N18O16S/c1-7-29-91-30-14-18-51(91)42-82-67(99)53-34-48(36-59(108-5)65(53)109-6)17-16-33-110-60-39-63(97)93(73(60)105)31-11-9-10-21-61(95)80-27-13-22-62(96)86-55(37-49-40-78-43-83-49)69(101)85-46(4)66(98)90-64(45(3)8-2)71(103)88-56(35-47-23-25-52(94)26-24-47)72(104)92-32-15-20-58(92)70(102)87-54(19-12-28-81-75(76)77)68(100)89-57(74(106)107)38-50-41-79-44-84-50/h7,23-26,34,36,40-41,43-46,51,54-58,60,64,94H,1,8-22,27-33,35,37-39,42H2,2-6H3,(H,78,83)(H,79,84)(H,80,95)(H,82,99)(H,85,101)(H,86,96)(H,87,102)(H,88,103)(H,89,100)(H,90,98)(H,106,107)(H4,76,77,81)/t45-,46-,51-,54-,55-,56-,57-,58-,60?,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
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