BDBM50140088 CHEMBL451251::GGCCSHPACAANNQDYC#

SMILES: C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O

InChI Key: InChIKey=WOTXBFGWYQHVLY-LFENUTDDSA-N

Data: 2 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 2 hits for monomerid = 50140088   

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
G2/mitotic-specific cyclin B1 (Rattus norvegicus)	BDBM50140088 (CHEMBL451251 | GGCCSHPACAANNQDYC#) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C65H96N22O25S4/c1-27(74-60(106)41(23-114)84-53(99)29(3)75-63(109)44-5-4-12-87(44)64(110)38(14-31-19-70-26-72-31)82-59(105)39(21-88)83-62(108)42(24-115)85-61(107)40(22-113)76-49(94)20-71-48(93)18-66)51(97)73-28(2)52(98)78-35(15-46(68)91)57(103)80-36(16-47(69)92)56(102)77-33(10-11-45(67)90)54(100)81-37(17-50(95)96)58(104)79-34(13-30-6-8-32(89)9-7-30)55(101)86-43(25-116)65(111)112/h6-9,19,26-29,33-44,88-89,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,93)(H,73,97)(H,74,106)(H,75,109)(H,76,94)(H,77,102)(H,78,98)(H,79,104)(H,80,103)(H,81,100)(H,82,105)(H,83,108)(H,84,99)(H,85,107)(H,86,101)(H,95,96)(H,111,112)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of rat Nicotinic acetylcholine receptor alpha7 (nAChR) in Xenopus Oocytes				J Med Chem 47: 1234-41 (2004) Article DOI: 10.1021/jm031010o BindingDB Entry DOI: 10.7270/Q2RN378M
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM50140088 (CHEMBL451251 | GGCCSHPACAANNQDYC#) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C65H96N22O25S4/c1-27(74-60(106)41(23-114)84-53(99)29(3)75-63(109)44-5-4-12-87(44)64(110)38(14-31-19-70-26-72-31)82-59(105)39(21-88)83-62(108)42(24-115)85-61(107)40(22-113)76-49(94)20-71-48(93)18-66)51(97)73-28(2)52(98)78-35(15-46(68)91)57(103)80-36(16-47(69)92)56(102)77-33(10-11-45(67)90)54(100)81-37(17-50(95)96)58(104)79-34(13-30-6-8-32(89)9-7-30)55(101)86-43(25-116)65(111)112/h6-9,19,26-29,33-44,88-89,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,90)(H2,68,91)(H2,69,92)(H,70,72)(H,71,93)(H,73,97)(H,74,106)(H,75,109)(H,76,94)(H,77,102)(H,78,98)(H,79,104)(H,80,103)(H,81,100)(H,82,105)(H,83,108)(H,84,99)(H,85,107)(H,86,101)(H,95,96)(H,111,112)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes				J Med Chem 47: 1234-41 (2004) Article DOI: 10.1021/jm031010o BindingDB Entry DOI: 10.7270/Q2RN378M
					More data for this Ligand-Target Pair