BDBM50015530 CHEMBL3265322

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)CCOCCOCCOCCOCCNC(=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=QLIYIWFCLGFWMD-SQAMFPIWSA-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 = 50015530   

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))	BDBM50015530 (CHEMBL3265322) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=O)CCOCCOCCOCCOCCNC(=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/C104H160N24O28S/c1-7-32-126-33-15-19-74(126)61-112-95(141)76-53-71(55-83(151-5)93(76)152-6)18-17-52-157-84-58-88(133)128(102(84)148)34-13-9-10-23-85(130)110-31-45-154-47-49-156-51-50-155-48-46-153-44-28-86(131)116-77(20-11-12-29-109-87(132)62-122-36-38-123(63-89(134)135)40-42-125(65-91(138)139)43-41-124(39-37-122)64-90(136)137)96(142)118-79(56-72-59-107-66-113-72)98(144)115-69(4)94(140)121-92(68(3)8-2)100(146)119-80(54-70-24-26-75(129)27-25-70)101(147)127-35-16-22-82(127)99(145)117-78(21-14-30-111-104(105)106)97(143)120-81(103(149)150)57-73-60-108-67-114-73/h7,24-27,53,55,59-60,66-69,74,77-82,84,92,129H,1,8-23,28-52,54,56-58,61-65H2,2-6H3,(H,107,113)(H,108,114)(H,109,132)(H,110,130)(H,112,141)(H,115,144)(H,116,131)(H,117,145)(H,118,142)(H,119,146)(H,120,143)(H,121,140)(H,134,135)(H,136,137)(H,138,139)(H,149,150)(H4,105,106,111)/t68-,69-,74-,77-,78-,79-,80-,81-,82-,84?,92-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	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
					More data for this Ligand-Target Pair