BDBM50115292 CHEMBL438180::DOTA-ReCCEHdFRWCKPVD-OH

SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O

InChI Key: InChIKey=ONHNJYCTYSDZLT-QLSUDDPXSA-J

Data: 1 IC50

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 = 50115292   

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
Melanocortin receptor 1 (Mus musculus)	BDBM50115292 (CHEMBL438180 | DOTA-ReCCEHdFRWCKPVD-OH) Show SMILES CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O Show InChI InChI=1S/C79H115N25O24S3.O.Re/c1-42(2)62(69(122)95-54(77(127)128)34-58(108)109)97-68(121)55-17-10-22-104(55)76(126)50(16-9-21-86-79(82)83)91-71(124)74(130)98-67(120)52(32-44-35-87-47-14-7-6-13-46(44)47)93-63(116)48(15-8-20-85-78(80)81)89-65(118)51(31-43-11-4-3-5-12-43)92-66(119)53(33-45-36-84-41-88-45)94-64(117)49(18-19-57(106)107)90-70(123)75(131)99-72(125)73(129)96-56(105)37-100-23-25-101(38-59(110)111)27-29-103(40-61(114)115)30-28-102(26-24-100)39-60(112)113;;/h3-7,11-14,35-36,41-42,48-55,62,73-75,87H,8-10,15-34,37-40H2,1-2H3,(H29,80,81,82,83,84,85,86,88,89,90,91,92,93,94,95,96,97,98,99,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,127,128,129,130,131);;/q;-1;+3/p-4/t48?,49?,50?,51-,52?,53?,54?,55?,62?,73?,74?,75?;;/m0../s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-Columbia Curated by ChEMBL					Assay Description In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line				J Med Chem 45: 3048-56 (2002) BindingDB Entry DOI: 10.7270/Q2WQ034Z
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